UCSF

ZINC48695471

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 15 No

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) 0.55 2.45 -14.02 1 5 0 59 214.265 7
Mid Mid (pH 6-8) 0.55 4.62 -44.62 2 5 1 60 215.273 7

Activity (Go SEA)

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