UCSF

ZINC02575484

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 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) 4.17 1.72 -46.67 0 2 -1 40 219.304 8

Vendor Notes

Note Type Comments Provided By
Boiling_Point 150-152?/0.1mm Alfa-Aesar
Boiling_Point 150-152°/0.1mm Alfa-Aesar
Melting_Point 27-29? Alfa-Aesar
Melting_Point 27-29° Alfa-Aesar
Purity 97% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

Rings

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