UCSF

ZINC01681214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 Yes

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) 3.67 1.56 -8.44 1 3 0 46 228.247 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0221346A1; EP0221346B1; EP0778821A1; EP0778821B1; EP1028941A2; US4116961; US4939133; US5965741; WO1996006822A1; WO1999024394A2; WO2000055153A1 IBM Patent Data

Activity (Go SEA)

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