UCSF

ZINC61380115

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 No

Popular Name: 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[2-[2-methoxyethyl(methyl)amin…

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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) 1.27 5.11 -33.3 1 5 0 55 299.421 6 ↓
Hi High (pH 8-9.5) 1.27 2.74 -38.79 0 5 -1 53 298.413 6 ↓
Mid Mid (pH 6-8) 0.81 6.38 -33.83 2 5 1 51 300.429 6 ↓

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

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