UCSF

ZINC37087889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.52 6.87 -51.91 2 4 0 57 268.382 5
Lo Low (pH 4.5-6) 1.52 7.9 -72.1 3 4 1 61 269.39 5

Activity (Go SEA)

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