UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[[(2R)-1-ethylpyrrolidin-2-yl]…

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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) 0.24 4.16 -45.02 3 5 1 67 288.371 4 ↓

Analogs

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Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[[(2S)-1-ethylpyrrolidin-2-yl]…

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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) 0.24 4.16 -45.87 3 5 1 67 288.371 4 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[[(2R)-…

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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 4.87 -94.33 5 5 2 74 288.395 4 ↓
Mid Mid (pH 6-8) -0.32 4.46 -42.92 4 5 1 72 287.387 4 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[[(2S)-…

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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 4.87 -93.51 5 5 2 74 288.395 4 ↓
Mid Mid (pH 6-8) -0.32 4.46 -43.44 4 5 1 72 287.387 4 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridine-3-carboxamide 2-methoxy-N-[[(2S)-pyrrolidin-2-…

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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) 0.42 2.23 -52.14 3 5 1 68 236.295 4 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridine-3-carboxamide 2-methoxy-N-[[(2R)-pyrrolidin-2-…

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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) 0.42 2.05 -52.42 3 5 1 68 236.295 4 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-3-carboxamide 2-methoxy-N-[[(2R)-1-(2-methoxye…

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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) 0.64 4.26 -44.61 2 6 1 65 294.375 7 ↓
Hi High (pH 8-9.5) 0.64 1.98 -13.04 1 6 0 64 293.367 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyridine-3-carboxamide 2-methoxy-N-[[(2S)-1-(2-methoxye…

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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) 0.64 4.52 -46.85 2 6 1 65 294.375 7 ↓
Hi High (pH 8-9.5) 0.64 2.24 -13.78 1 6 0 64 293.367 7 ↓

Analogs

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Popular Name: 2-ethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyridine-3-carboxamide 2-ethoxy-N-[[(2S)-1-methylpyrrol…

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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) 1.04 5.34 -47.47 2 5 1 56 264.349 5 ↓

Analogs

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Popular Name: 2-ethoxy-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyridine-3-carboxamide 2-ethoxy-N-[[(2R)-1-methylpyrrol…

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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) 1.04 5.05 -46.79 2 5 1 56 264.349 5 ↓

Parameters Provided:

ring.id = 2789
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 = 2789 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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