UCSF

ZINC02386405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 9 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) 2.27 1.62 -33.3 0 2 -1 36 162.983 0
Mid Mid (pH 6-8) 1.82 3.06 -15.41 1 2 0 33 163.991 0

Vendor Notes

Note Type Comments Provided By
mp 192 - 194 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.