UCSF

ZINC34676332

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 38 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) 0.51 6.12 -23.53 1 11 0 109 526.638 12
Mid Mid (pH 6-8) 0.51 8.39 -68.07 2 11 1 110 527.646 12

Activity (Go SEA)

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