UCSF

ZINC03845163

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 18 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) 3.83 -1.5 -4.38 4 2 0 52 240.35 5

Vendor Notes

Note Type Comments Provided By
mp 225 - 232 MolMall (formerly Molecular Diversity Preservation International)
mp 73 - 75 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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