UCSF

ZINC34424091

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 14 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) 1.50 4.42 -47.92 3 2 1 41 187.266 3
Mid Mid (pH 6-8) 1.50 4.88 -96.35 4 2 2 42 188.274 3

Activity (Go SEA)

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