UCSF

ZINC01693351

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 20 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) 1.95 5.06 -13.23 2 4 0 58 268.316 5

Vendor Notes

Note Type Comments Provided By
Mp [°C] 240 - 244 Acros Organics
mp 244 MolMall (formerly Molecular Diversity Preservation International)
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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