UCSF

ZINC26405039

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 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) 0.79 -2.38 -62.31 4 6 -1 124 280.281 2
Hi High (pH 8-9.5) 0.79 -1.36 -133.75 3 6 -2 127 279.273 2
Mid Mid (pH 6-8) 0.79 -3.39 -25.45 5 6 0 121 281.289 2

Activity (Go SEA)

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