UCSF

ZINC62591980

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 22 Yes

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

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CAS Numbers: 1291487-10-9 , [1291487-10-9]

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) 4.05 3.89 -50.04 0 5 -1 67 333.414 4 ↓
Mid Mid (pH 6-8) 3.59 5.81 -12.61 1 5 0 64 334.422 4 ↓

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

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