UCSF

ZINC37207080

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 Yes

Popular Name: N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]acetamide N-methyl-2-[(4-oxo-3H-thieno[3,2…

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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) 0.02 -1.23 -33.87 3 6 0 87 252.299 4 ↓
Hi High (pH 8-9.5) 0.47 -3.31 -57.17 2 6 -1 90 251.291 4 ↓
Mid Mid (pH 6-8) 0.02 0.68 -61.99 4 6 1 91 253.307 4 ↓

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

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