UCSF

ZINC42822836

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.55 1.79 -10.78 3 5 0 77 235.287 4
Lo Low (pH 4.5-6) 0.55 2.15 -36.41 4 5 1 78 236.295 4

Activity (Go SEA)

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