UCSF

ZINC69160942

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 21 Yes

Popular Name: 5-methyl-2-(2-methylsulfonyl-4-pyridyl)-3H-thieno[2,3-d]pyrimidin-4-one 5-methyl-2-(2-methylsulfonyl-4-p…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.76 2.03 -19.19 1 6 0 93 321.383 2 ↓
Hi High (pH 8-9.5) 2.22 0.28 -53.47 0 6 -1 96 320.375 2 ↓

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

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