UCSF

ZINC34526256

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 0.73 3.49 -6.23 2 3 0 46 202.257 0
Mid Mid (pH 6-8) 0.73 3.81 -44.67 3 3 1 48 203.265 0

Activity (Go SEA)

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