UCSF

ZINC00395624

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 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) 3.45 0.39 -2.97 0 1 0 9 186.663 2

Vendor Notes

Note Type Comments Provided By
BP 244-246° Matrix Scientific
BP 52-53°/0.1mm Matrix Scientific
Boiling_Point 70-72?/1mm Alfa-Aesar
Boiling_Point 70-72°/1mm Alfa-Aesar
Warnings Corrosive/Stored under Argon Matrix Scientific
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific

Activity (Go SEA)

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