UCSF

ZINC40918087

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 25 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) 2.84 8.89 -44.04 0 5 0 50 335.359 2
Mid Mid (pH 6-8) 2.84 7.92 -14.46 1 5 0 53 336.367 2

Activity (Go SEA)

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