UCSF

ZINC18101268

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 12 No

Popular Name: 2-Mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one 2-Mercapto-6-methyl-3H-thieno[2,…

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CAS Numbers: 38201-63-7 , N/A

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) 0.95 3.44 -11.45 2 3 0 49 198.272 0 ↓
Mid Mid (pH 6-8) 1.41 2.99 -36.25 1 3 -1 52 197.264 0 ↓

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

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