UCSF

ZINC00336771

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 2.90 -1.19 -1.63 0 1 0 12 283.894 0

Vendor Notes

Note Type Comments Provided By
mp 117 - 118 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 127-131? Alfa-Aesar
MP 127-131° Oakwood Chemical
MP 131.3-131.4° Matrix Scientific
Purity 97% 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.