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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-amino-1-piperidyl)-[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methanone (4-amino-1-piperidyl)-[(1R,4R,5R…

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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) 0.82 4.27 -52.9 3 3 1 48 221.324 1 ↓

Analogs

32740440
32740440
32740439
32740439
19582060
19582060

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Popular Name: (4-amino-1-piperidyl)-[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methanone (4-amino-1-piperidyl)-[(1R,4R,5S…

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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) 0.82 4.23 -52.71 3 3 1 48 221.324 1 ↓

Analogs

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Popular Name: 1-[(1R,4R,5R)-bicyclo[2.2.1]hept-2-ene-5-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(1R,4R,5R)-bicyclo[2.2.1]hept…

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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) 1.82 7.84 -50.5 0 4 -1 60 262.329 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,4R,5S)-bicyclo[2.2.1]hept-2-ene-5-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(1R,4R,5S)-bicyclo[2.2.1]hept…

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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) 1.82 7.8 -48.32 0 4 -1 60 262.329 2 ↓

Analogs

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Popular Name: 1-[(1R,4R,5R)-bicyclo[2.2.1]hept-2-ene-5-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(1R,4R,5R)-bicyclo[2.2.1]hept…

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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) 2.15 8.32 -49.67 0 4 -1 60 276.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,4R,5S)-bicyclo[2.2.1]hept-2-ene-5-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(1R,4R,5S)-bicyclo[2.2.1]hept…

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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) 2.15 8.31 -48.27 0 4 -1 60 276.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,4R,5R)-bicyclo[2.2.1]hept-2-ene-5-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(1R,4R,5R)-bicyclo[2.2.1]hept…

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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) 2.71 9.07 -48.34 0 4 -1 60 290.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,4R,5S)-bicyclo[2.2.1]hept-2-ene-5-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(1R,4R,5S)-bicyclo[2.2.1]hept…

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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) 2.71 9.08 -48.64 0 4 -1 60 290.383 4 ↓

Analogs

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Popular Name: (1S,4R,5S,6R)-6-(4-ethyl-4-methyl-piperidine-1-carbonyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-(4-ethyl-4-methy…

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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) 2.80 9.43 -56.52 0 4 -1 60 290.383 3 ↓
Lo Low (pH 4.5-6) 2.80 7.41 -13.23 1 4 0 58 291.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-(4-ethyl-4-methyl-piperidine-1-carbonyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-(4-ethyl-4-methy…

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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) 2.80 8.98 -48.45 0 4 -1 60 290.383 3 ↓
Lo Low (pH 4.5-6) 2.80 6.75 -7 1 4 0 58 291.391 3 ↓

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methanone [4-(2-aminoethyl)-1-piperidyl]-[…

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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) 1.59 5.63 -53.69 3 3 1 48 249.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-aminoethyl)-1-piperidyl]-[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methanone [4-(2-aminoethyl)-1-piperidyl]-[…

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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) 1.59 5.63 -52.19 3 3 1 48 249.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone [(1R,4R,5R)-5-bicyclo[2.2.1]hept…

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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) 2.57 7.53 -46.27 2 3 1 37 263.405 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone [(1R,4R,5S)-5-bicyclo[2.2.1]hept…

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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) 2.57 7.51 -45.44 2 3 1 37 263.405 4 ↓

Analogs

2571477
2571477
4142640
4142640

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-(4-ethylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-(4-ethylpiperidi…

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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) 2.74 8.95 -53.77 0 4 -1 60 276.356 3 ↓
Lo Low (pH 4.5-6) 2.74 7.3 -13.57 1 4 0 58 277.364 3 ↓

Analogs

2571477
2571477
4142640
4142640

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-(4-ethylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-(4-ethylpiperidi…

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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) 2.74 8.85 -50.3 0 4 -1 60 276.356 3 ↓
Lo Low (pH 4.5-6) 2.74 6.63 -6.96 1 4 0 58 277.364 3 ↓

Parameters Provided:

ring.id = 109812
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 = 109812 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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