UCSF

ZINC00730568

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 8 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) 2.88 -1.36 -3.04 0 1 0 12 283.894 0
Lo Low (pH 4.5-6) 2.88 -1.25 -31.52 1 1 1 14 284.902 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 61? Alfa-Aesar
Melting_Point 61° Alfa-Aesar
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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