UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-oxo-4-[4-(2-oxopyrrolidin-1-yl)-1-piperidyl]-N-propyl-butanamide 4-oxo-4-[4-(2-oxopyrrolidin-1-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) 0.33 5.22 -16.59 1 6 0 70 309.41 6 ↓

Analogs

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Popular Name: 3-[4-(2-oxopyrrolidin-1-yl)-1-piperidyl]propanoic 3-[4-(2-oxopyrrolidin-1-yl)-1-pi…

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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) 0.00 6.84 -46.96 1 5 0 65 240.303 4 ↓
Hi High (pH 8-9.5) 0.00 4.61 -51.32 0 5 -1 64 239.295 4 ↓

Analogs

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Popular Name: 1-(1-butylsulfonyl-4-piperidyl)pyrrolidin-2-one 1-(1-butylsulfonyl-4-piperidyl)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) 1.30 4.6 -20.93 0 5 0 58 288.413 5 ↓

Analogs

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Popular Name: (3R)-5-oxo-1-(1,2,2,6,6-pentamethyl-4-piperidyl)pyrrolidine-3-carboxylic (3R)-5-oxo-1-(1,2,2,6,6-pentamet…

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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) 1.45 7.49 -56.82 1 5 0 65 282.384 2 ↓
Lo Low (pH 4.5-6) 1.45 5.49 -34.59 2 5 1 62 283.392 2 ↓

Analogs

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Popular Name: (3S)-5-oxo-1-(1,2,2,6,6-pentamethyl-4-piperidyl)pyrrolidine-3-carboxylic (3S)-5-oxo-1-(1,2,2,6,6-pentamet…

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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) 1.45 7.43 -57.4 1 5 0 65 282.384 2 ↓
Lo Low (pH 4.5-6) 1.45 5.49 -35.01 2 5 1 62 283.392 2 ↓

Analogs

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Popular Name: N-allyl-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide N-allyl-4-(2-oxopyrrolidin-1-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) 1.33 4.82 -16.2 1 5 0 53 251.33 3 ↓

Analogs

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Popular Name: N-butyl-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide N-butyl-4-(2-oxopyrrolidin-1-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) 2.13 5.81 -16.23 1 5 0 53 267.373 4 ↓

Analogs

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Popular Name: N-isopropyl-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide N-isopropyl-4-(2-oxopyrrolidin-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) 1.36 5.09 -16.39 1 5 0 53 253.346 2 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-(1-methyl-4-piperidyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(1-methyl-4-pip…

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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) -0.43 2.12 -36.99 2 4 1 45 199.274 1 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-(1-methyl-4-piperidyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(1-methyl-4-pip…

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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) -0.43 2.12 -37.17 2 4 1 45 199.274 1 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-(1-propyl-4-piperidyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(1-propyl-4-pip…

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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) 0.45 3.53 -36.63 2 4 1 45 227.328 3 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-(1-propyl-4-piperidyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(1-propyl-4-pip…

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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) 0.45 3.53 -36.76 2 4 1 45 227.328 3 ↓

Analogs

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Popular Name: (3R)-5-oxo-1-(1-propyl-4-piperidyl)pyrrolidine-3-carboxylic (3R)-5-oxo-1-(1-propyl-4-piperid…

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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 7.46 -60.47 1 5 0 65 254.33 4 ↓
Lo Low (pH 4.5-6) 0.71 5.46 -38.89 2 5 1 62 255.338 4 ↓

Analogs

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Popular Name: (3S)-5-oxo-1-(1-propyl-4-piperidyl)pyrrolidine-3-carboxylic (3S)-5-oxo-1-(1-propyl-4-piperid…

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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 7.4 -59.45 1 5 0 65 254.33 4 ↓
Lo Low (pH 4.5-6) 0.71 5.46 -38.65 2 5 1 62 255.338 4 ↓

Analogs

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Popular Name: (4R)-4-amino-1-(1-propyl-4-piperidyl)pyrrolidin-2-one (4R)-4-amino-1-(1-propyl-4-piper…

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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) -0.04 4.19 -98.36 4 4 2 52 227.352 3 ↓
Hi High (pH 8-9.5) -0.04 3.9 -35.28 3 4 1 51 226.344 3 ↓

Analogs

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Popular Name: (4S)-4-amino-1-(1-propyl-4-piperidyl)pyrrolidin-2-one (4S)-4-amino-1-(1-propyl-4-piper…

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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) -0.04 4.2 -98.04 4 4 2 52 227.352 3 ↓
Hi High (pH 8-9.5) -0.04 3.91 -35.71 3 4 1 51 226.344 3 ↓

Parameters Provided:

ring.id = 294334
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 = 294334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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