UCSF

ZINC03852738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 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) 2.04 -3.17 -9.98 3 3 0 55 190.246 1

Vendor Notes

Note Type Comments Provided By
mp 168 - 170 MolMall (formerly Molecular Diversity Preservation International)
mp 219 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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