UCSF

ZINC00992830

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 22 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) 5.24 1.55 -6.24 0 2 0 18 290.362 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 125-128? Alfa-Aesar
Melting_Point 125-128° Alfa-Aesar
mp 127 - 128.5 MolMall (formerly Molecular Diversity Preservation International)
mp 128 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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