UCSF

ZINC40117431

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 2.57 4.78 -52.97 1 7 -1 97 447.261 6
Lo Low (pH 4.5-6) 2.57 4.02 -16.36 2 7 0 94 448.269 6

Activity (Go SEA)

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