UCSF

ZINC03888391

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 No

Popular Name: 1-isobutyl-5-phenyl-1H-imidazole-2-thiol 1-isobutyl-5-phenyl-1H-imidazole…

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CAS Number: 852399-66-7

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) 2.78 8.7 -15.1 1 2 0 21 232.352 3 ↓
Mid Mid (pH 6-8) 0.01 1.04 -26.92 1 2 1 19 233.36 3 ↓

Vendor Notes

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

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