UCSF

ZINC34526922

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 1.47 7.25 -27.27 3 3 1 45 214.292 1
Mid Mid (pH 6-8) 1.47 6.73 -6.96 2 3 0 44 213.284 1

Activity (Go SEA)

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