UCSF

ZINC32497040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 12 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) 0.98 1.5 -23.85 2 2 0 31 162.236 1
Hi High (pH 8-9.5) 0.98 2.72 -38.11 3 2 1 29 163.244 1
Hi High (pH 8-9.5) 0.98 2.49 -34.98 3 2 1 29 163.244 1
Hi High (pH 8-9.5) 0.98 1.36 -2.14 2 2 0 24 162.236 1

Vendor Notes

Note Type Comments Provided By
MP 75-80° Oakwood Chemical
Melting_Point 83-87? Alfa-Aesar
Melting_Point 83-87° Alfa-Aesar
Purity 95% Matrix Scientific
Purity 96% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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