UCSF

ZINC62591977

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 19 Yes

Popular Name: 7-(2-methylphenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(2-methylphenyl)-2-(methylthio…

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CAS Numbers: 1291486-78-6 , [1291486-78-6]

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) 4.80 5.18 -48.54 0 3 -1 49 287.389 2 ↓
Mid Mid (pH 6-8) 4.34 6.53 -13.4 1 3 0 46 288.397 2 ↓

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

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