UCSF

ZINC02387758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 10 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) 2.76 1.75 -7.47 0 1 0 17 154.596 1

Vendor Notes

Note Type Comments Provided By
MP 31° Fluorochem
Melting_Point 36-38? Alfa-Aesar
Melting_Point 36-38° Alfa-Aesar
MP 39-40° Matrix Scientific
Boiling_Point 74?/0.4mm Alfa-Aesar
BP 74°/0.4mm Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT, TOXIC Matrix Scientific
Warnings Toxic/Irritant Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.