UCSF

ZINC41679338

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 No

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) -0.84 -1.54 -34.51 0 7 -1 101 213.169 5
Mid Mid (pH 6-8) -1.29 1.13 -8.51 1 7 0 98 214.177 5

Activity (Go SEA)

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