UCSF

ZINC40351392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 17 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) 0.23 6.07 -45.34 2 4 1 46 233.27 1
Hi High (pH 8-9.5) 0.23 4.77 -5.02 1 4 0 41 232.262 1

Activity (Go SEA)

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