UCSF

ZINC02564038

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 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) 3.04 1.26 -6.06 0 1 0 12 169.227 1
Lo Low (pH 4.5-6) 3.04 1.39 -29.71 1 1 1 14 170.235 1

Vendor Notes

Note Type Comments Provided By
BP 157 / 12 TCI
Boiling_Point 170-180/20mm Alfa-Aesar
Purity 96% Fluorochem
Purity 99%MIN APIChem

Activity (Go SEA)

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