UCSF

ZINC03843772

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 27 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) 5.45 1.42 -2.25 0 3 0 27 374.565 3

Vendor Notes

Note Type Comments Provided By
mp 125 - 127 MolMall (formerly Molecular Diversity Preservation International)
mp 208 - 210 MolMall (formerly Molecular Diversity Preservation International)
mp 213 - 214 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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