UCSF

ZINC04624087

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 7 No

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Annotations

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) 1.41 1.48 -4.28 2 2 0 39 179.042 0
Lo Low (pH 4.5-6) 1.41 1.76 -29.51 3 2 1 40 180.05 0

Vendor Notes

Note Type Comments Provided By
MP 163 TCI
Mp [°C] 165 Acros Organics
MP 165 - 167 Enamine Building Blocks
MP 165...167 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Melting_Point ca 165? dec. Alfa-Aesar
Melting_Point ca 165° dec. Alfa-Aesar
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.