UCSF

ZINC39737988

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 22 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) 3.67 5.25 -3.33 2 2 0 40 304.474 0

Vendor Notes

Note Type Comments Provided By
mp 182 - 184 MolMall (formerly Molecular Diversity Preservation International)
mp 190 - 192 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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