UCSF

ZINC34583198

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 10 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) 0.11 0.42 -42.11 3 2 1 31 141.238 0
Mid Mid (pH 6-8) 0.11 2.63 -104.78 4 2 2 32 142.246 0
Mid Mid (pH 6-8) 0.11 2.3 -30.53 3 2 1 30 141.238 0

Activity (Go SEA)

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