UCSF

ZINC34676331

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 0.44 3.45 -25.7 2 10 0 109 486.548 9
Mid Mid (pH 6-8) 0.44 5.72 -60.91 3 10 1 110 487.556 9

Activity (Go SEA)

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