LigandBox (201710): Property/Chemical ID search

LigandBox (201710): Property/Chemical ID search

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SOURCE NAME
Molecular Name
[Examples]:oseltamivir ATP histamine
Lower/Upper: care ignore

COMPOUND ID

Database	COMPOUND ID	Examples
LigandBox		HTS1710-02691479, KSH2017-00217654
NAMIKI SHOJI Co.,Ltd. KISHIDA CHEMICAL Co.,Ltd.		NS-014933217-0000 KL-001-0410-052
PDB_LIGAND KEGG_COMPOUND KEGG_DRUG		ATP C07024 D08646
ChEMBL		CHEMBL1378174
PubChem		2883804

PROPERTY (Show Hisrograms of Properties)

	Queries		Database Statistics
PROPERTY	lower	upper	min	average	max
MOLECULAR WEIGHT			18.015	388.308	2637.972
MOLECULAR CHARGE			-14	0.227	8
NUMBER OF DONOR			0	1.462	46
NUMBER OF ACCEPTOR			0	3.914832	73
NUMBER OF CHIRAL ATOMS			0	0.436070	56
LUMO			-202.3655	-1.349742	36.7809
HOMO			-203.6708	-9.5631	26.0197
LOGS			-42.945	-5.316674	598.665
LOGP			-21.085	3.703897	39.020

maximum number of showing hit molecule :1000
Number of randomly selected molecules : No random selection 10 50 100 500 1000
seed for random number : by clock 1 2 3 4 5

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LastModified: 20180813