UCSF

ZINC33587766

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 No

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) 4.58 11.44 -10.39 1 5 0 37 462.059 11
Mid Mid (pH 6-8) 4.58 13.7 -44.13 2 5 1 38 463.067 11

Activity (Go SEA)

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