UCSF

ZINC01494966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.42 2.89 -40.94 3 3 1 50 181.259 3
Lo Low (pH 4.5-6) 1.42 3.05 -94.09 4 3 2 51 182.267 3

Vendor Notes

Note Type Comments Provided By
BP 52-54°/0.04mm Fluorochem
BP 52-54°/0.05mm Matrix Scientific
Purity 95%+ Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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