UCSF

ZINC34551223

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 3.92 11.56 -11.96 0 4 0 55 336.398 3
Mid Mid (pH 6-8) 3.92 12.05 -37.48 1 4 1 56 337.406 3

Activity (Go SEA)

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