UCSF

ZINC08768978

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 13 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) 3.44 0.96 -7.37 0 1 0 12 171.243 0
Lo Low (pH 4.5-6) 3.44 1.02 -24.23 1 1 1 14 172.251 0

Activity (Go SEA)

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