UCSF

ZINC02560320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 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) 2.63 4.64 -7.64 0 1 0 13 215.096 2
Lo Low (pH 4.5-6) 2.63 4.65 -32.93 1 1 1 14 216.104 2

Vendor Notes

Note Type Comments Provided By
BP 154 TCI
MP 55-56° Matrix Scientific
Melting_Point 55-58? Alfa-Aesar
Melting_Point 55-58° Alfa-Aesar
MP 57 TCI
Boiling_Point 82?/18mm Alfa-Aesar
BP 82°/18mm Matrix Scientific
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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