UCSF

ZINC44516973

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 2.05 5.83 -35.02 4 3 1 42 234.367 4
Lo Low (pH 4.5-6) 2.05 6.36 -93.65 5 3 2 47 235.375 4
Lo Low (pH 4.5-6) 2.05 5.7 -81.48 5 3 2 44 235.375 4

Activity (Go SEA)

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