UCSF

ZINC00155398

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

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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) 0.30 -0.83 -5.77 1 3 0 39 132.159 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 27? Alfa-Aesar
Melting_Point 27° Alfa-Aesar
BP [°C] 188 - 189 Acros Organics
Boiling_Point 188-190? Alfa-Aesar
Boiling_Point 188-190° Alfa-Aesar
MP 58 - 61 Enamine Building Blocks
MP 58...61 Enamine Building Blocks
BP 72-73°/8mm Fluorochem
BP 80 / 12 TCI
BP [°C] 82 - 83 (p=14 torr) Acros Organics
Boiling_Point 82-83?/14mm Alfa-Aesar
Boiling_Point 82-83°/14mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
BP 90 / 20 TCI
purity 95 Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% APIChem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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