UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37817631
37817631
37817632
37817632
37824812
37824812
37824813
37824813
4287463
4287463

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-N-methyl-piperidine-2-carboxamide (2S)-N-cyclopentyl-N-methyl-pipe…

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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) 1.74 5.29 -35.7 2 3 1 37 211.329 2 ↓
Hi High (pH 8-9.5) 1.74 4.13 -7.64 1 3 0 32 210.321 2 ↓

Analogs

37817631
37817631
37817632
37817632
37824812
37824812
37824813
37824813
37825022
37825022

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-N-methyl-piperidine-2-carboxamide (2R)-N-cyclopentyl-N-methyl-pipe…

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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) 1.74 5.3 -35.08 2 3 1 37 211.329 2 ↓
Hi High (pH 8-9.5) 1.74 4.1 -7.03 1 3 0 32 210.321 2 ↓

Analogs

19514194
19514194
4287463
4287463

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-N-cyclopentyl-N,6-dimethyl-piperidine-2-carboxamide (2R,6R)-N-cyclopentyl-N,6-dimeth…

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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) 2.07 6 -33.37 2 3 1 37 225.356 2 ↓
Hi High (pH 8-9.5) 2.07 4.86 -7.52 1 3 0 32 224.348 2 ↓

Analogs

37817631
37817631
37817632
37817632
19514194
19514194
4287463
4287463

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-N-cyclopentyl-N,6-dimethyl-piperidine-2-carboxamide (2R,6S)-N-cyclopentyl-N,6-dimeth…

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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) 2.07 5.81 -37.35 2 3 1 37 225.356 2 ↓
Hi High (pH 8-9.5) 2.07 4.42 -7.06 1 3 0 32 224.348 2 ↓

Analogs

19514194
19514194
4287463
4287463

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-N-cyclopentyl-N,6-dimethyl-piperidine-2-carboxamide (2S,6R)-N-cyclopentyl-N,6-dimeth…

Find On: PubMed — Wikipedia — Google

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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) 2.07 5.63 -36.28 2 3 1 37 225.356 2 ↓
Hi High (pH 8-9.5) 2.07 4.47 -6.3 1 3 0 32 224.348 2 ↓

Analogs

19514194
19514194
4287463
4287463

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-N-cyclopentyl-N,6-dimethyl-piperidine-2-carboxamide (2S,6S)-N-cyclopentyl-N,6-dimeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.07 5.99 -33.34 2 3 1 37 225.356 2 ↓
Hi High (pH 8-9.5) 2.07 4.84 -6.97 1 3 0 32 224.348 2 ↓

Analogs

19519831
19519831
19519830
19519830

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Popular Name: (2S)-N-allyl-N-cyclopentyl-piperidine-2-carboxamide (2S)-N-allyl-N-cyclopentyl-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) 2.39 6.54 -35.19 2 3 1 37 237.367 4 ↓
Hi High (pH 8-9.5) 2.39 5.35 -7.28 1 3 0 32 236.359 4 ↓

Analogs

19519831
19519831
19519830
19519830

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-allyl-N-cyclopentyl-piperidine-2-carboxamide (2R)-N-allyl-N-cyclopentyl-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) 2.39 6.64 -35.14 2 3 1 37 237.367 4 ↓
Hi High (pH 8-9.5) 2.39 5.34 -6.42 1 3 0 32 236.359 4 ↓

Analogs

36136807
36136807
36136805
36136805
36136044
36136044
36136042
36136042
35766388
35766388

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Popular Name: (2S)-N-cyclopentyl-N-(2-hydroxyethyl)piperidine-2-carboxamide (2S)-N-cyclopentyl-N-(2-hydroxye…

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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) 1.11 3.99 -35.75 3 4 1 57 241.355 4 ↓
Hi High (pH 8-9.5) 1.11 2.57 -8.69 2 4 0 53 240.347 4 ↓

Analogs

36136807
36136807
36136805
36136805
36136044
36136044
36136042
36136042
35766388
35766388

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-N-(2-hydroxyethyl)piperidine-2-carboxamide (2R)-N-cyclopentyl-N-(2-hydroxye…

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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) 1.11 3.97 -35.18 3 4 1 57 241.355 4 ↓
Hi High (pH 8-9.5) 1.11 2.64 -9.28 2 4 0 53 240.347 4 ↓

Analogs

35766388
35766388
35766390
35766390
37092841
37092841
36999039
36999039
36999040
36999040

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-N-(2-dimethylaminoethyl)piperidine-2-carboxamide (2S)-N-cyclopentyl-N-(2-dimethyl…

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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) 1.77 7.5 -103.63 3 4 2 41 269.433 5 ↓
Hi High (pH 8-9.5) 1.77 6.24 -49.64 2 4 1 37 268.425 5 ↓

Analogs

35766388
35766388
35766390
35766390
37092841
37092841
36999039
36999039
36999040
36999040

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-N-(2-dimethylaminoethyl)piperidine-2-carboxamide (2R)-N-cyclopentyl-N-(2-dimethyl…

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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) 1.77 7.43 -100.62 3 4 2 41 269.433 5 ↓
Hi High (pH 8-9.5) 1.77 6.17 -48.08 2 4 1 37 268.425 5 ↓

Analogs

42439030
42439030
42439031
42439031
42439032
42439032

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-6-methyl-piperidine-2-carboxamide (2R,6R)-N-(2-amino-2-oxo-ethyl)-…

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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) 0.81 3.13 -36.99 4 5 1 80 268.381 4 ↓
Hi High (pH 8-9.5) 0.81 1.97 -15.08 3 5 0 75 267.373 4 ↓

Analogs

42439031
42439031
42439032
42439032
42439029
42439029

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-6-methyl-piperidine-2-carboxamide (2R,6S)-N-(2-amino-2-oxo-ethyl)-…

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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) 0.81 2.99 -39.17 4 5 1 80 268.381 4 ↓
Hi High (pH 8-9.5) 0.81 1.54 -15.23 3 5 0 75 267.373 4 ↓

Analogs

42439032
42439032
42439029
42439029
42439030
42439030

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-6-methyl-piperidine-2-carboxamide (2S,6R)-N-(2-amino-2-oxo-ethyl)-…

Find On: PubMed — Wikipedia — Google

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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) 0.81 3.02 -46.54 4 5 1 80 268.381 4 ↓
Hi High (pH 8-9.5) 0.81 1.47 -12.81 3 5 0 75 267.373 4 ↓

Analogs

42439029
42439029
42439030
42439030
42439031
42439031

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-6-methyl-piperidine-2-carboxamide (2S,6S)-N-(2-amino-2-oxo-ethyl)-…

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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) 0.81 3.15 -35.04 4 5 1 80 268.381 4 ↓
Hi High (pH 8-9.5) 0.81 1.82 -14.1 3 5 0 75 267.373 4 ↓

Parameters Provided:

ring.id = 144695
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 = 144695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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