UCSF

ZINC40807133

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 12 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) -0.44 0.47 -97.34 5 4 2 61 175.276 4
Mid Mid (pH 6-8) -0.44 0.07 -39.79 4 4 1 60 174.268 4

Activity (Go SEA)

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