UCSF

ZINC34851106

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 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) -0.44 1 -56.32 7 9 1 149 404.491 8
Hi High (pH 8-9.5) -0.44 0.68 -20.6 6 9 0 148 403.483 8

Activity (Go SEA)

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