UCSF

ZINC01845728

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 11 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) 1.49 2.49 -47.59 1 3 -1 60 159.205 7

Vendor Notes

Note Type Comments Provided By
BP 130°/1mm Matrix Scientific
MP 55-57° Matrix Scientific
Purity 95% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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