UCSF

ZINC39234755

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 12 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) -0.35 1.78 -35.85 5 2 1 54 165.26 2
Lo Low (pH 4.5-6) -0.35 2.07 -122.17 6 2 2 55 166.268 2

Activity (Go SEA)

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