UCSF

ZINC18210877

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 11 No

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) 0.92 2.4 -7.85 2 4 0 65 172.209 3

Vendor Notes

Note Type Comments Provided By
MP 168-172° Oakwood Chemical
MP 169 - 171 Enamine Building Blocks
MP 169...171 Enamine Building Blocks
melting_point 175 - 177 KeyOrganics
MP 175-177° Matrix Scientific
Melting_Point 175-178? Alfa-Aesar
Melting_Point 175-178° Alfa-Aesar
MP 177-181° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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