UCSF

ZINC42823294

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 12 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) -0.40 -0.89 -44.56 4 4 1 66 173.236 3
Hi High (pH 8-9.5) -0.40 -1.3 -7.96 3 4 0 64 172.228 3

Activity (Go SEA)

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