UCSF

ZINC21297837

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 11 Yes

CAS Number: 13327-31-6

Download: MOL2 SDF SMILES Flexibase

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) 3.00 5.96 -4.92 0 1 0 13 255.058 0

Vendor Notes

Note Type Comments Provided By
MP 86 - 88 Enamine Building Blocks
MP 86-90° Matrix Scientific
MP 86...88 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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