UCSF

ZINC00056404

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) 5.18 4.34 -3.69 2 2 0 40 222.328 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.50e-01 g/l DrugBank-experimental
Mp [°C] 212 - 218 Acros Organics
Melting_Point 214-218? Alfa-Aesar
Melting_Point 214-218° Alfa-Aesar
MP 215 TCI
Boiling_Point 321? Alfa-Aesar
Boiling_Point 321° Alfa-Aesar
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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