UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-amino-1-(3-pyrrolidin-1-ylpropyl)pyridin-2-one 3-amino-1-(3-pyrrolidin-1-ylprop…

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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) 0.46 5.42 -40.58 3 4 1 52 222.312 4 ↓

Analogs

42391218
42391218
42391222
42391222

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Popular Name: (2S)-1-[3-(5-amino-2-oxo-1-pyridyl)propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[3-(5-amino-2-oxo-1-pyrid…

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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) -0.32 5.37 -40.16 3 6 1 73 293.391 5 ↓

Analogs

42391218
42391218
42391222
42391222

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Popular Name: (2R)-1-[3-(5-amino-2-oxo-1-pyridyl)propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[3-(5-amino-2-oxo-1-pyrid…

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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) -0.32 4.99 -45.2 3 6 1 73 293.391 5 ↓

Analogs

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Popular Name: 6-methyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxylic 6-methyl-2-oxo-1-(3-pyrrolidin-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) 0.71 9.29 -89.96 1 5 0 67 264.325 5 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxylic 4,6-dimethyl-2-oxo-1-(3-pyrrolid…

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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) 1.47 9.86 -89.38 1 5 0 67 278.352 5 ↓

Analogs

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Popular Name: 5-amino-1-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propyl]pyridin-2-one 5-amino-1-[3-[(3R)-3-(dimethylam…

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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) 0.53 4 -44.04 3 5 1 56 265.381 5 ↓
Hi High (pH 8-9.5) 0.53 1.6 -11.57 2 5 0 55 264.373 5 ↓
Mid Mid (pH 6-8) 0.53 3.96 -42.31 3 5 1 56 265.381 5 ↓

Analogs

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Popular Name: 5-amino-1-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propyl]pyridin-2-one 5-amino-1-[3-[(3S)-3-(dimethylam…

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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) 0.53 4 -43.43 3 5 1 56 265.381 5 ↓
Hi High (pH 8-9.5) 0.53 1.61 -11.97 2 5 0 55 264.373 5 ↓
Mid Mid (pH 6-8) 0.53 4 -42.85 3 5 1 56 265.381 5 ↓

Analogs

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Popular Name: 5-amino-1-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]propyl]pyridin-2-one 5-amino-1-[3-[(3R)-3-(diethylami…

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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) 1.28 7.47 -112.68 4 5 2 57 294.443 7 ↓
Hi High (pH 8-9.5) 1.28 2.88 -10.23 2 5 0 55 292.427 7 ↓
Hi High (pH 8-9.5) 1.28 5.36 -42.86 3 5 1 56 293.435 7 ↓

Analogs

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Popular Name: 5-amino-1-[3-[(3S)-3-(diethylamino)pyrrolidin-1-yl]propyl]pyridin-2-one 5-amino-1-[3-[(3S)-3-(diethylami…

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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) 1.28 7.43 -112.88 4 5 2 57 294.443 7 ↓
Hi High (pH 8-9.5) 1.28 2.98 -11.31 2 5 0 55 292.427 7 ↓
Hi High (pH 8-9.5) 1.28 5.28 -43.11 3 5 1 56 293.435 7 ↓

Analogs

44678660
44678660
44678661
44678661

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Popular Name: 6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxylic 6-oxo-1-(3-pyrrolidin-1-ylpropyl…

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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) 0.88 8.03 -60.47 1 5 0 67 250.298 5 ↓

Analogs

42432712
42432712

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Popular Name: 5-amino-1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one 5-amino-1-[3-[(2R)-2-(hydroxymet…

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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) 0.14 2.25 -42.61 4 5 1 73 252.338 5 ↓

Analogs

42432711
42432711

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Popular Name: 5-amino-1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one 5-amino-1-[3-[(2S)-2-(hydroxymet…

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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) 0.14 2.74 -40.31 4 5 1 73 252.338 5 ↓

Parameters Provided:

ring.id = 10615
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 = 10615 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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