UCSF

ZINC04822285

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 18 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) -0.70 -0.25 -9.9 3 8 0 108 249.23 1
Lo Low (pH 4.5-6) -0.70 0.01 -39.84 4 8 1 110 250.238 1
Lo Low (pH 4.5-6) -0.70 -4.37 -36.54 4 8 1 110 250.238 1

Activity (Go SEA)

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