UCSF

ZINC34676246

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 12 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.57 3.23 -6.38 2 3 0 52 165.192 4

Vendor Notes

Note Type Comments Provided By
MP 127-136o C Indofine
MP 132-134 °C Indofine
Melting_Point 132-134? Alfa-Aesar
Melting_Point 132-134° Alfa-Aesar
MP 134 - 136 Enamine Building Blocks
MP 134...136 Enamine Building Blocks
MP 135 TCI
Melting_Point 139-140? Alfa-Aesar
Melting_Point 139-140° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 98% Fluorochem
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% )