UCSF

ZINC39042753

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 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) -0.61 7.85 -72.73 0 5 -1 86 245.189 2
Lo Low (pH 4.5-6) -0.61 5.84 -25 1 5 0 83 246.197 2

Activity (Go SEA)

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