UCSF

ZINC40858232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 19 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) -0.15 0.44 -48.24 4 5 1 69 284.405 6
Lo Low (pH 4.5-6) -0.15 2.08 -95.83 5 5 2 70 285.413 6

Activity (Go SEA)

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