UCSF

ZINC42779207

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.76 4.58 -44.67 3 3 1 48 253.288 7
Mid Mid (pH 6-8) 1.76 4.24 -7.78 2 3 0 46 252.28 7

Activity (Go SEA)

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