UCSF

ZINC62591985

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1291486-64-0 , [1291486-64-0]

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) 5.03 5.03 -50.52 0 3 -1 49 307.807 2 ↓
Mid Mid (pH 6-8) 4.57 6.38 -14.56 1 3 0 46 308.815 2 ↓

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

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