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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: azepan-1-yl-[(3S)-3-ethyl-3-piperidyl]methanone azepan-1-yl-[(3S)-3-ethyl-3-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) 1.86 5.78 -43.11 2 3 1 37 239.383 2 ↓

Analogs

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Popular Name: azepan-1-yl-[(3R)-3-ethyl-3-piperidyl]methanone azepan-1-yl-[(3R)-3-ethyl-3-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) 1.86 6.3 -42.47 2 3 1 37 239.383 2 ↓

Analogs

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Popular Name: azepan-1-yl-[(3S)-3-methyl-3-piperidyl]methanone azepan-1-yl-[(3S)-3-methyl-3-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) 1.53 5.57 -33.55 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: azepan-1-yl-[(3R)-3-methyl-3-piperidyl]methanone azepan-1-yl-[(3R)-3-methyl-3-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) 1.53 5.77 -32.47 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: azepan-1-yl-[(3S)-3-propyl-3-piperidyl]methanone azepan-1-yl-[(3S)-3-propyl-3-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) 2.42 6.46 -43.33 2 3 1 37 253.41 3 ↓

Analogs

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Popular Name: azepan-1-yl-[(3R)-3-propyl-3-piperidyl]methanone azepan-1-yl-[(3R)-3-propyl-3-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) 2.42 7.08 -42.59 2 3 1 37 253.41 3 ↓

Analogs

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Popular Name: (3R)-N-isopropyl-3-[(4R)-4-methylazepane-1-carbonyl]piperidine-1-carboxamide (3R)-N-isopropyl-3-[(4R)-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) 2.76 7.66 -9.55 1 5 0 53 309.454 2 ↓

Analogs

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Popular Name: (3R)-N-isopropyl-3-[(4S)-4-methylazepane-1-carbonyl]piperidine-1-carboxamide (3R)-N-isopropyl-3-[(4S)-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) 2.76 7.76 -10.12 1 5 0 53 309.454 2 ↓

Analogs

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Popular Name: (3S)-N-isopropyl-3-[(4R)-4-methylazepane-1-carbonyl]piperidine-1-carboxamide (3S)-N-isopropyl-3-[(4R)-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) 2.76 7.65 -9.53 1 5 0 53 309.454 2 ↓

Analogs

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Popular Name: (3S)-N-isopropyl-3-[(4S)-4-methylazepane-1-carbonyl]piperidine-1-carboxamide (3S)-N-isopropyl-3-[(4S)-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) 2.76 7.67 -9.72 1 5 0 53 309.454 2 ↓

Analogs

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Popular Name: [(2R)-2-methylazepan-1-yl]-[(3R)-3-piperidyl]methanone [(2R)-2-methylazepan-1-yl]-[(3R)…

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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) 1.61 5.52 -42.13 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: [(2S)-2-methylazepan-1-yl]-[(3R)-3-piperidyl]methanone [(2S)-2-methylazepan-1-yl]-[(3R)…

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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) 1.61 5.57 -40.67 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: [(2R)-2-methylazepan-1-yl]-[(3S)-3-piperidyl]methanone [(2R)-2-methylazepan-1-yl]-[(3S)…

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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) 1.61 5.64 -41.99 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: [(2S)-2-methylazepan-1-yl]-[(3S)-3-piperidyl]methanone [(2S)-2-methylazepan-1-yl]-[(3S)…

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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) 1.61 5.6 -41.86 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-(azepane-1-carbonyl)-1-piperidyl]-N-tert-butyl-propanamide (2S)-2-[(3S)-3-(azepane-1-carbon…

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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) 2.50 8.56 -35.11 2 5 1 54 338.516 4 ↓
Mid Mid (pH 6-8) 2.50 6.3 -13.2 1 5 0 53 337.508 4 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-(azepane-1-carbonyl)-1-piperidyl]-N-tert-butyl-propanamide (2R)-2-[(3S)-3-(azepane-1-carbon…

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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) 2.50 8.55 -38.52 2 5 1 54 338.516 4 ↓
Mid Mid (pH 6-8) 2.50 6.35 -9.14 1 5 0 53 337.508 4 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-(azepane-1-carbonyl)-1-piperidyl]-N-carbamoyl-propanamide (2S)-2-[(3S)-3-(azepane-1-carbon…

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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) 0.59 5.16 -47.03 4 7 1 97 325.433 3 ↓
Mid Mid (pH 6-8) 0.59 2.87 -25.04 3 7 0 96 324.425 3 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-(azepane-1-carbonyl)-1-piperidyl]-N-carbamoyl-propanamide (2R)-2-[(3S)-3-(azepane-1-carbon…

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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) 0.59 5.16 -52.06 4 7 1 97 325.433 3 ↓
Mid Mid (pH 6-8) 0.59 2.9 -19.08 3 7 0 96 324.425 3 ↓

Parameters Provided:

ring.id = 36552
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 = 36552 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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