UCSF

ZINC34616025

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 1.03 5.3 -37.57 1 2 1 22 166.244 0
Mid Mid (pH 6-8) 1.03 3.1 -3.98 0 2 0 20 165.236 0

Activity (Go SEA)

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