UCSF

ZINC01682358

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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) -0.20 1.68 -7.64 0 2 0 26 80.09 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 8 Acros Organics
MP 8 - -6 Enamine Building Blocks
MP 8...-6 Enamine Building Blocks
Melting_Point 8? Alfa-Aesar
Melting_Point Alfa-Aesar
BP [°C] 208 Acros Organics
Boiling_Point 87?/14mm Alfa-Aesar
Boiling_Point 87°/14mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Patent Database Links EP0805190; EP0825187; EP0889044; EP0920868; EP0934941; EP0967205; EP0970954; EP0985662; EP1014185; EP1024138; EP1041438; EP1052238; EP1057812; EP1061077; EP1067123; EP1072576; EP1072601; EP1082309; EP1082323; EP1103551; EP1108712; EP1112743; EP1122243; EP ChEBI
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.