UCSF

ZINC40116654

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 22 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) 2.58 5.68 -57.77 1 4 -1 69 292.314 3
Lo Low (pH 4.5-6) 2.58 4.91 -12.59 2 4 0 66 293.322 3

Activity (Go SEA)

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