UCSF

ZINC40163227

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2010 30 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) 3.31 11.44 -12.9 0 8 0 101 422.474 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0440494A3; EP1059930A1; US5078750; US5506268; US5763494; WO1994028888A1; WO1997039355A1; WO1998008498A1; WO1999021006A1; WO1999044623A1; WO2000051586A2 IBM Patent Data

Activity (Go SEA)

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