UCSF

ZINC05225479

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 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) 2.69 3.71 -5.31 0 1 0 17 188.148 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 67-69?/3mm Alfa-Aesar
Boiling_Point 67-69°/3mm Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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