UCSF

ZINC04206597

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 No

Popular Name: 3-benzyl-2-mercapto-3,5-dihydro-4H-imidazol-4-one 3-benzyl-2-mercapto-3,5-dihydro-…

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CAS Numbers: 2010-15-3 , 2221-13-8 , 39123-65-4

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) 1.12 5.4 -11.55 1 3 0 32 206.27 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 16 - 18 Enamine Building Blocks
MP 16...18 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

No pre-computed analogs available. Try a structural similarity search.