UCSF

ZINC44808849

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 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) -0.02 2.89 -51.72 2 4 1 57 170.236 4
Mid Mid (pH 6-8) 0.17 0.95 -36.82 1 4 0 64 169.228 4

Activity (Go SEA)

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