UCSF

ZINC37114646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.72 10.27 -11.51 0 4 0 63 255.273 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0174770A1; EP0252639A1; EP0750609A1; US4666928; US4720505; US5135940; US5840918; US5859284; US5886213; US6057459; WO1992000989A1; WO1995025086A1; WO1998007685A1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )