UCSF

ZINC33915916

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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 1.53 -44.6 4 6 1 89 273.316 2
Mid Mid (pH 6-8) 0.55 0.22 -7.86 3 6 0 84 272.308 2

Activity (Go SEA)

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