UCSF

ZINC34527175

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 4.72 13.35 -7.72 1 7 0 70 411.513 5
Mid Mid (pH 6-8) 4.72 15.56 -44.68 2 7 1 71 412.521 5

Activity (Go SEA)

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