UCSF

ZINC09059073

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 16 No

Popular Name: 2-Mercapto-6-(4-methoxyphenyl)pyrimidin-4(3H)-one 2-Mercapto-6-(4-methoxyphenyl)py…

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CAS Numbers: , 33166-87-9

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) 1.39 4.21 -11.53 2 4 0 58 234.28 2 ↓
Mid Mid (pH 6-8) 1.85 2.89 -36.97 1 4 -1 61 233.272 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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