UCSF

ZINC43423365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.41 2.54 -9.05 2 5 0 68 261.325 1
Lo Low (pH 4.5-6) 0.41 2.95 -35.72 3 5 1 70 262.333 1

Activity (Go SEA)

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