UCSF

ZINC40333599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 20 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) 2.30 5.57 -14.44 3 5 0 71 293.754 5
Mid Mid (pH 6-8) 1.86 4.26 -52.89 3 5 1 70 294.762 5

Activity (Go SEA)

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