UCSF

ZINC00405276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 16 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) 3.05 0.85 -69.06 0 3 -1 49 215.228 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 141 - 145 Acros Organics
Melting_Point 143-145? Alfa-Aesar
Melting_Point 143-145° Alfa-Aesar
MP 144 TCI
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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