UCSF

ZINC06844021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2006 28 No

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) 8.62 16.67 -0.32 0 0 0 0 405.11 5

Vendor Notes

Note Type Comments Provided By
mp 92.5 - 94 MolMall (formerly Molecular Diversity Preservation International)
M.P 94-96 °C Indofine
Melting_Point 94-96? Alfa-Aesar
Melting_Point 94-96° Alfa-Aesar
MP 95o C Indofine

Activity (Go SEA)

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

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