UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 2.21 5.38 -12.19 2 4 0 58 285.372 5 ↓
Lo Low (pH 4.5-6) 2.67 4.11 -51.53 2 4 0 65 285.372 5 ↓
Lo Low (pH 4.5-6) 2.21 6.74 -59.16 3 4 1 62 286.38 5 ↓

Analogs

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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 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-fluorophenyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-(2-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) 2.33 5.41 -13.53 2 4 0 58 303.362 5 ↓
Hi High (pH 8-9.5) 2.79 2.8 -50.08 1 4 -1 61 302.354 5 ↓
Lo Low (pH 4.5-6) 2.33 6.78 -57.53 3 4 1 62 304.37 5 ↓

Parameters Provided:

ring.id = 367403
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 367403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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