UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45753795
45753795
45753796
45753796
45769123
45769123
45769125
45769125
45769127
45769127

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Popular Name: (2S)-N-cyclopentyl-N-methyl-2-piperazin-1-yl-propanamide (2S)-N-cyclopentyl-N-methyl-2-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) 0.72 3.29 -40.83 2 4 1 40 240.371 3 ↓
Hi High (pH 8-9.5) 0.72 1.95 -7.97 1 4 0 36 239.363 3 ↓

Analogs

45753795
45753795
45753796
45753796
45769123
45769123
45769125
45769125
45769127
45769127

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Popular Name: (2R)-N-cyclopentyl-N-methyl-2-piperazin-1-yl-propanamide (2R)-N-cyclopentyl-N-methyl-2-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) 0.72 3.48 -42.64 2 4 1 40 240.371 3 ↓
Hi High (pH 8-9.5) 0.72 2.14 -8.12 1 4 0 36 239.363 3 ↓

Analogs

37825085
37825085
35773263
35773263

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Popular Name: N-cyclopentyl-N-methyl-2-piperazin-1-yl-acetamide N-cyclopentyl-N-methyl-2-piperaz…

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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) 0.39 3.19 -41.2 2 4 1 40 226.344 3 ↓
Hi High (pH 8-9.5) 0.39 1.82 -7.89 1 4 0 36 225.336 3 ↓

Analogs

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Popular Name: (2S)-N-cyclopentyl-2-[4-(2,2-difluoroethyl)piperazin-1-yl]propanamide (2S)-N-cyclopentyl-2-[4-(2,2-dif…

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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) 1.64 2.88 -9 1 4 0 36 289.37 5 ↓
Lo Low (pH 4.5-6) 1.64 5 -38.99 2 4 1 37 290.378 5 ↓

Analogs

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Popular Name: (2R)-N-cyclopentyl-2-[4-(2,2-difluoroethyl)piperazin-1-yl]propanamide (2R)-N-cyclopentyl-2-[4-(2,2-dif…

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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) 1.64 2.82 -10.14 1 4 0 36 289.37 5 ↓
Lo Low (pH 4.5-6) 1.64 4.93 -36.31 2 4 1 37 290.378 5 ↓

Analogs

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Popular Name: (2S)-2-[4-(4-cyanobutylsulfonyl)piperazin-1-yl]-N-cyclopentyl-propanamide (2S)-2-[4-(4-cyanobutylsulfonyl)…

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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) 0.68 3.71 -18.92 1 7 0 94 370.519 8 ↓

Analogs

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Popular Name: (2R)-2-[4-(4-cyanobutylsulfonyl)piperazin-1-yl]-N-cyclopentyl-propanamide (2R)-2-[4-(4-cyanobutylsulfonyl)…

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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) 0.68 3.7 -18.81 1 7 0 94 370.519 8 ↓

Analogs

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Popular Name: N-(1-cyanocyclopentyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide N-(1-cyanocyclopentyl)-2-[4-(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) 1.54 3.9 -19.95 1 6 0 76 306.41 4 ↓

Analogs

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Popular Name: N-cyclopentyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-isopropyl-acetamide N-cyclopentyl-2-[4-(2-hydroxyeth…

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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) 1.03 1.94 -7.81 1 5 0 47 297.443 6 ↓
Mid Mid (pH 6-8) 1.03 4.23 -33.18 2 5 1 48 298.451 6 ↓

Analogs

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Popular Name: N-(1-cyanocyclopentyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide N-(1-cyanocyclopentyl)-2-[4-(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) 1.08 3.4 -40.43 2 6 1 70 295.407 6 ↓
Mid Mid (pH 6-8) 1.08 1.04 -14.21 1 6 0 69 294.399 6 ↓

Analogs

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Popular Name: N-(1-cyanocyclopentyl)-2-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]acetamide N-(1-cyanocyclopentyl)-2-[(3R)-4…

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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) 1.41 4.25 -39.58 2 6 1 70 309.434 6 ↓
Mid Mid (pH 6-8) 1.41 2.06 -15.49 1 6 0 69 308.426 6 ↓

Analogs

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Popular Name: N-(1-cyanocyclopentyl)-2-[(3S)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]acetamide N-(1-cyanocyclopentyl)-2-[(3S)-4…

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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) 1.41 3.91 -38.73 2 6 1 70 309.434 6 ↓
Mid Mid (pH 6-8) 1.41 1.66 -14.19 1 6 0 69 308.426 6 ↓

Analogs

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Popular Name: N-(1-cyanocyclopentyl)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide N-(1-cyanocyclopentyl)-2-[(3R)-3…

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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) 1.95 4.83 -39.53 2 6 1 70 323.461 7 ↓
Mid Mid (pH 6-8) 1.95 2.65 -15.29 1 6 0 69 322.453 7 ↓

Analogs

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Popular Name: N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide N-(1-cyanocyclopentyl)-2-[(3S)-3…

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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) 1.95 4.53 -38.86 2 6 1 70 323.461 7 ↓
Mid Mid (pH 6-8) 1.95 2.28 -14.01 1 6 0 69 322.453 7 ↓

Analogs

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Popular Name: N-cyclopentyl-N-isopropyl-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide N-cyclopentyl-N-isopropyl-2-[4-(…

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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) 1.64 6.64 -33.18 1 5 1 37 312.478 7 ↓
Mid Mid (pH 6-8) 1.64 4.34 -6.96 0 5 0 36 311.47 7 ↓

Analogs

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Popular Name: N-(1-cyanocyclopentyl)-2-[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]acetamide N-(1-cyanocyclopentyl)-2-[(3S)-4…

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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) 1.79 4.87 -38.69 2 6 1 70 323.461 7 ↓
Mid Mid (pH 6-8) 1.79 2.64 -14.04 1 6 0 69 322.453 7 ↓

Analogs

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Popular Name: N-allyl-N-cyclopentyl-2-piperazin-1-yl-acetamide N-allyl-N-cyclopentyl-2-piperazi…

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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) 1.03 4.5 -41.15 2 4 1 40 252.382 5 ↓
Hi High (pH 8-9.5) 1.03 3.31 -6.37 1 4 0 36 251.374 5 ↓

Analogs

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Popular Name: N-cyclopentyl-N-(2-hydroxyethyl)-2-piperazin-1-yl-acetamide N-cyclopentyl-N-(2-hydroxyethyl)…

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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 1.09 -39.44 3 5 1 60 256.37 5 ↓
Hi High (pH 8-9.5) -0.24 -0.28 -8.55 2 5 0 56 255.362 5 ↓

Analogs

46063695
46063695
47551394
47551394
48545831
48545831
16389039
16389039
873818
873818

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Popular Name: N-cyclopentyl-N-(2-dimethylaminoethyl)-2-piperazin-1-yl-acetamide N-cyclopentyl-N-(2-dimethylamino…

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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 5.26 -82.32 3 5 2 45 284.448 6 ↓
Hi High (pH 8-9.5) 0.42 3.89 -36.31 2 5 1 40 283.44 6 ↓

Analogs

42439362
42439362

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Popular Name: (2S)-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-2-piperazin-1-yl-propanamide (2S)-N-(2-amino-2-oxo-ethyl)-N-c…

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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) -0.55 0.4 -45.11 4 6 1 83 283.396 5 ↓
Hi High (pH 8-9.5) -0.55 -0.94 -12.51 3 6 0 79 282.388 5 ↓

Analogs

42439360
42439360

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Popular Name: (2R)-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-2-piperazin-1-yl-propanamide (2R)-N-(2-amino-2-oxo-ethyl)-N-c…

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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) -0.55 0.56 -45.55 4 6 1 83 283.396 5 ↓
Hi High (pH 8-9.5) -0.55 -0.79 -15.81 3 6 0 79 282.388 5 ↓

Parameters Provided:

ring.id = 59745
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 = 59745 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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