UCSF

ZINC00038519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 2.92 8.98 -51.53 1 5 -1 78 298.318 7

Vendor Notes

Note Type Comments Provided By
MP 104 TCI
MP 104 °C Indofine
Melting_Point 130-135? Alfa-Aesar
Mp [°C] 85 - 88 Acros Organics
Melting_Point 85-87? Alfa-Aesar
Melting_Point 85-87° Alfa-Aesar
Melting_Point 86-92? Alfa-Aesar
Melting_Point 86-92° Alfa-Aesar
MP 87 - 90 Enamine Building Blocks
MP 87...90 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID WO1997032580A1 IBM Patent Data

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