UCSF

ZINC41679076

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 3.38 11.28 -45.07 1 3 1 22 294.85 7
Mid Mid (pH 6-8) 3.38 11.71 -82.56 2 3 2 24 295.858 7

Activity (Go SEA)

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