UCSF

ZINC09280278

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 18 No

Popular Name: 4-(4-fluorophenyl)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol 4-(4-fluorophenyl)-5-(2-furyl)-4…

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CAS Number: 259154-02-4

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) 2.87 8.55 -45.43 0 4 -1 44 260.273 2 ↓
Mid Mid (pH 6-8) 2.14 8.45 -10.46 1 4 0 47 261.281 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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