UCSF

ZINC59956415

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 24 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) 3.47 10.54 -137.14 0 7 -2 108 338.356 11
Lo Low (pH 4.5-6) 3.47 8.47 -48.46 1 7 -1 105 339.364 11
Lo Low (pH 4.5-6) 3.47 8.55 -61.97 1 7 -1 105 339.364 11

Activity (Go SEA)

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