UCSF

ZINC44720882

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) -1.33 0.96 -52.13 2 6 1 72 231.272 7
Mid Mid (pH 6-8) -1.33 -0.37 -13.9 1 6 0 68 230.264 7
Mid Mid (pH 6-8) -1.33 -0.37 -9.05 1 6 0 68 230.264 7

Activity (Go SEA)

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