UCSF

ZINC02168716

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 No

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) 1.95 6.23 -10.15 0 3 0 43 178.187 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 132-136?/0.5mm Alfa-Aesar
Boiling_Point 132-136°/0.5mm Alfa-Aesar
BP 98-101°/0.3mm Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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