UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34130470
34130470

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Popular Name: 4-ethyl-2-(6-methoxy-2-naphthyl)-1H-pyrimidin-6-one 4-ethyl-2-(6-methoxy-2-naphthyl)…

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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) 3.80 7.32 -10.47 1 4 0 55 280.327 3 ↓

Analogs

36755176
36755176

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Popular Name: 4-ethyl-2-(2-naphthyl)-1H-pyrimidin-6-one 4-ethyl-2-(2-naphthyl)-1H-pyrimi…

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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) 3.77 8.02 -9.24 1 3 0 46 250.301 2 ↓

Analogs

37409035
37409035
36755176
36755176

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Popular Name: 4-isopropyl-2-(2-naphthyl)-1H-pyrimidin-6-one 4-isopropyl-2-(2-naphthyl)-1H-py…

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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) 4.26 8.69 -8.88 1 3 0 46 264.328 2 ↓

Analogs

37409035
37409035
36755176
36755176

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Popular Name: 4-tert-butyl-2-(2-naphthyl)-1H-pyrimidin-6-one 4-tert-butyl-2-(2-naphthyl)-1H-p…

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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) 4.92 9.08 -8.82 1 3 0 46 278.355 2 ↓

Analogs

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Popular Name: 4-amino-2-(2-naphthyl)-1H-pyrimidin-6-one 4-amino-2-(2-naphthyl)-1H-pyrimi…

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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) 2.58 5.44 -11.28 3 4 0 72 237.262 1 ↓

Analogs

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Popular Name: 2-(2-naphthyl)-6-oxo-1H-pyrimidine-5-carboxylic 2-(2-naphthyl)-6-oxo-1H-pyrimidi…

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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) 2.31 8.23 -59.4 1 5 -1 86 265.248 2 ↓
Hi High (pH 8-9.5) 2.77 6.54 -132.83 0 5 -2 89 264.24 2 ↓

Parameters Provided:

ring.id = 111118
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 = 111118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=111118&filter.purchasability=annotated

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