UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-methyl-2-morpholino-6-oxo-1H-pyrimidin-5-yl)-N-(2-oxo-2-propylamino-ethyl)propanamide 3-(4-methyl-2-morpholino-6-oxo-1…

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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) 0.92 2.04 -17.83 3 9 0 116 365.434 8 ↓
Hi High (pH 8-9.5) 1.38 1.06 -51.71 2 9 -1 120 364.426 8 ↓

Analogs

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Popular Name: N-[2-(2-methoxyethylamino)-2-oxo-ethyl]-3-(4-methyl-2-morpholino-6-oxo-1H-pyrimidin-5-yl)propanamide N-[2-(2-methoxyethylamino)-2-oxo…

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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) 0.03 1.98 -17.17 3 10 0 126 381.433 9 ↓

Analogs

25381313
25381313
25381318
25381318

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Popular Name: N-allyl-3-(4-methyl-2-morpholino-6-oxo-1H-pyrimidin-5-yl)propanamide N-allyl-3-(4-methyl-2-morpholino…

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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) 1.08 3.31 -13.5 2 7 0 87 306.366 6 ↓

Analogs

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Popular Name: (4-Hydroxy-6-methyl-2-morpholin-4-yl-pyrimidin-5-yl)-acetic acid (4-Hydroxy-6-methyl-2-morpholin-…

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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) 0.06 2.65 -57.88 1 7 -1 98 252.25 3 ↓

Analogs

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Popular Name: N-butyl-N-methyl-2-(4-methyl-2-morpholino-6-oxo-pyrimidin-1-yl)acetamide N-butyl-N-methyl-2-(4-methyl-2-m…

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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) 1.02 8.42 -15.79 0 7 0 68 322.409 6 ↓

Analogs

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Popular Name: 4-butyl-2-morpholino-1H-pyrimidin-6-one 4-butyl-2-morpholino-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) 2.34 6.2 -9.4 1 5 0 58 237.303 4 ↓

Parameters Provided:

ring.id = 104717
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 = 104717 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=104717&filter.purchasability=annotated

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