UCSF

ZINC34973326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.85 7.66 -33.77 2 2 1 16 233.379 5
Lo Low (pH 4.5-6) 2.85 8.68 -110.67 3 2 2 21 234.387 5

Activity (Go SEA)

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