LigandBox (202210): Property/Chemical ID search

LigandBox (202210): Property/Chemical ID search

[Go to Japanese page] [Back to top page] [Help of Property/CompoundID search]

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

COMPOUND ID

Database	COMPOUND ID	Examples
LigandBox		HTS2204-02691479, KSH2210-00217654
NAMIKI SHOJI Co.,Ltd. KISHIDA CHEMICAL Co.,Ltd.		NS-014933217-0000 KS122-0000970
ChEMBL		CHEMBL1378174
PubChem		2883804

PROPERTY (Show Hisrograms of Properties)

	Queries		Database Statistics
PROPERTY	lower	upper	min	average	max
MOLECULAR WEIGHT			26.018	372.081	3903.335
MOLECULAR CHARGE			-12	0.00012	6
NUMBER OF DONOR			0	1.153	72
NUMBER OF ACCEPTOR			0	3.842595	73
NUMBER OF CHIRAL ATOMS			0	0.508261	51
LUMO			-29.7341	-1.312507	54.1979
HOMO			-39.5506	-9.303246	51.976400
mLOGS			-10.543	-3.528914	9950.772
mLOGD			-385.42	2.394774	9811.518
mLOGPA			-899.632	-5.009932	9738.951

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

[Back to top page]

LastModified: 20230825