UCSF

ZINC51693803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2010 17 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) -0.50 1.37 -51.53 4 7 1 96 234.287 2
Lo Low (pH 4.5-6) -0.50 1.84 -102.54 5 7 2 97 235.295 2

Activity (Go SEA)

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