UCSF

ZINC12539254

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 No

Popular Name: 2-[2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione 2-[2-(4-amino-5,6-dimethyl-thien…

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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) 4.19 8.27 -15.99 2 6 0 91 384.486 4 ↓
Lo Low (pH 4.5-6) 4.19 8.6 -26.79 3 6 1 92 385.494 4 ↓
Lo Low (pH 4.5-6) 4.19 5.28 -29.97 3 6 1 92 385.494 4 ↓

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

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