UCSF

ZINC52212485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 13 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) 0.63 2.98 -117.5 4 3 2 42 186.299 4
Hi High (pH 8-9.5) 0.63 1.63 -35.46 3 3 1 38 185.291 4

Activity (Go SEA)

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