UCSF

ZINC00404369

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.21 1.36 -5.88 0 2 0 18 188.226 2

Vendor Notes

Note Type Comments Provided By
mp 150 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 152-154? Alfa-Aesar
Melting_Point 152-154° Alfa-Aesar
MP 154 TCI
Purity 95% Fluorochem
Purity ¡Ý99% APIChem

Activity (Go SEA)

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