UCSF

ZINC42060061

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 24 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) 0.34 2.96 -14 2 8 0 106 332.36 5
Mid Mid (pH 6-8) 0.79 0.44 -52.3 1 8 -1 109 331.352 5

Activity (Go SEA)

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