UCSF

ZINC03440542

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 No

Popular Name: 1-ethyl-5-(4-methylphenyl)-1H-imidazole-2-thiol 1-ethyl-5-(4-methylphenyl)-1H-im…

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CAS Number: 852388-94-4

Other Names:

F2147-0458

MFCD06655470

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) 2.48 8.48 -16.05 1 2 0 21 218.325 2 ↓
Mid Mid (pH 6-8) -0.29 0.8 -27.36 1 2 1 19 219.333 2 ↓

Vendor Notes

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

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