UCSF

ZINC46531245

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.62 6.85 -42.65 2 6 1 57 339.504 7
Hi High (pH 8-9.5) 1.62 7.05 -40.17 2 6 1 57 339.504 7
Hi High (pH 8-9.5) 1.62 5.1 -13.73 1 6 0 56 338.496 7

Activity (Go SEA)

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