UCSF

ZINC45258025

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 22 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) 3.39 6.08 -8.34 1 4 0 43 294.354 5
Lo Low (pH 4.5-6) 3.39 6.51 -29.23 2 4 1 45 295.362 5

Activity (Go SEA)

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