UCSF

ZINC61380111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 No

Popular Name: 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-5,6-dimethyl-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) 1.41 7.77 -33.43 2 5 1 51 328.483 6 ↓
Hi High (pH 8-9.5) 1.41 5.45 -10.78 1 5 0 50 327.475 6 ↓
Hi High (pH 8-9.5) 1.87 4.3 -39.49 0 5 -1 53 326.467 6 ↓
Mid Mid (pH 6-8) 1.87 6.64 -34.51 1 5 0 55 327.475 6 ↓

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Rings

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

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