UCSF

ZINC04264908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 29 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) 3.15 6.44 -55.07 2 5 -1 98 405.555 4
Lo Low (pH 4.5-6) 3.15 4.46 -9.93 3 5 0 95 406.563 4

Vendor Notes

Note Type Comments Provided By
mp 105 - 107 MolMall (formerly Molecular Diversity Preservation International)
mp 219.5 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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