UCSF

ZINC01641077

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) 0.69 4.52 -9.36 0 4 0 45 182.156 6

Vendor Notes

Note Type Comments Provided By
Mp [°C] 56 Acros Organics
ALOGPS_SOLUBILITY 1.59e+01 g/l DrugBank-experimental
BP [°C] 215 Acros Organics
Boiling_Point 215? Alfa-Aesar
Boiling_Point 215° Alfa-Aesar
BP 216 TCI
Purity 95% Fluorochem
Patent Database Links EP1201656; US2007178159; US2007248486 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
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
S phrase S25: Avoid contact with eyes. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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