UCSF

ZINC01732032

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 2.44 0.33 -4.24 1 1 0 20 126.13 0

Vendor Notes

Note Type Comments Provided By
BP 186-188°/748mm Oakwood Chemical
MP 56-57° Oakwood Chemical
MP 56.5° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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