UCSF

ZINC43947235

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 24 No

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) 8.52 15.67 -5.91 0 1 0 13 325.54 13
Lo Low (pH 4.5-6) 8.52 15.99 -26.08 1 1 1 14 326.548 13

Activity (Go SEA)

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