UCSF

ZINC44481849

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 0.56 4.47 -39.91 2 3 1 42 178.259 3
Hi High (pH 8-9.5) 0.56 3.18 -5.72 1 3 0 38 177.251 3

Activity (Go SEA)

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