UCSF

ZINC03845702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 21 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) 5.38 -0.01 -4.66 1 2 0 15 280.415 4

Vendor Notes

Note Type Comments Provided By
mp 157 - 158 MolMall (formerly Molecular Diversity Preservation International)
mp 210 - 211 MolMall (formerly Molecular Diversity Preservation International)
mp 68 - 68.5 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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