UCSF

ZINC31943493

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 26 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) 4.47 12.02 -13.86 0 4 0 55 338.414 3
Lo Low (pH 4.5-6) 4.47 12.44 -37.31 1 4 1 56 339.422 3

Activity (Go SEA)

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