UCSF

ZINC37328657

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 Yes

Popular Name: 2-[[2-(4-fluorophenyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-(4-fluorophenyl)ethylamino…

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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) 2.38 5.45 -13.52 2 4 0 58 303.362 5 ↓
Lo Low (pH 4.5-6) 2.83 4.18 -55.41 2 4 0 65 303.362 5 ↓
Lo Low (pH 4.5-6) 2.38 6.81 -64.66 3 4 1 62 304.37 5 ↓

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

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