UCSF

ZINC01693863

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Vendors

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) -0.31 1.09 -7.18 0 4 0 37 178.228 9

Vendor Notes

Note Type Comments Provided By
Mp [°C] 45 Acros Organics
Melting_Point 45? Alfa-Aesar
Melting_Point 45° Alfa-Aesar
ALOGPS_SOLUBILITY 1.67e+01 g/l DrugBank-experimental
Boiling_Point 215-216? Alfa-Aesar
Boiling_Point 215-216° Alfa-Aesar
BP [°C] 216 Acros Organics
Purity 95% Fluorochem
Patent Database Links EP1279668; EP1632485; EP1806344; EP1925619; US2005014826; US2007207993; WO2006025859; WO2006104305 ChEBI
H phrase H360: May damage fertility or the unborn child Acros Organics
H phrase H360Df: May damage the unborn child. Suspected of damaging fertility; EUH019: May form explosive peroxides; H319: Causes serious eye irritation Acros Organics
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P233: Keep container tightly closed; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R61: May cause harm to the unborn child. Acros Organics
R phrase R61: May cause harm to the unborn child.; R19: May form explosive peroxides.; R62: Possible risk of impaired fertility. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics

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