UCSF

ZINC43255810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 14 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) 2.46 8.11 -8.66 0 2 0 18 186.258 2
Mid Mid (pH 6-8) 2.46 8.54 -26.07 1 2 1 19 187.266 2

Activity (Go SEA)

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