UCSF

ZINC42570854

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.42 2.49 -11.06 2 6 0 65 338.496 9
Lo Low (pH 4.5-6) 1.42 4.67 -37.98 3 6 1 66 339.504 9
Lo Low (pH 4.5-6) 1.42 4.72 -38.25 3 6 1 66 339.504 9

Activity (Go SEA)

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