UCSF

ZINC34615113

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 11 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) 1.87 2.64 -48.33 1 3 -1 60 171.559 1
Hi High (pH 8-9.5) 1.87 3.39 -104.86 0 3 -2 63 170.551 1

Vendor Notes

Note Type Comments Provided By
mp 157 - 158 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem

Activity (Go SEA)

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