UCSF

ZINC67172491

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 19 Yes

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

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CAS Number: 1325303-76-1

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) 5.18 5.31 -46.5 0 3 -1 49 352.258 2 ↓
Mid Mid (pH 6-8) 4.73 6.61 -14.08 1 3 0 46 353.266 2 ↓

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

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