UCSF

ZINC59751298

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 18 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) 0.57 1.96 -44.79 5 5 1 86 250.322 5
Hi High (pH 8-9.5) 0.57 1.62 -9.09 4 5 0 84 249.314 5

Activity (Go SEA)

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