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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-piperidyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[[(3R)-3-piperidyl]methyl]-1,3…

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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) 2.46 8.91 -103.54 3 2 2 21 246.398 2 ↓
Mid Mid (pH 6-8) 2.46 7.16 -39.9 2 2 1 20 245.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-piperidyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[[(3S)-3-piperidyl]methyl]-1,3…

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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) 2.46 8.92 -103.45 3 2 2 21 246.398 2 ↓
Mid Mid (pH 6-8) 2.46 7.13 -39.89 2 2 1 20 245.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-ethyl-3-piperidyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[[(3S)-3-ethyl-3-piperidyl]met…

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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) 3.04 8.07 -39.61 2 2 1 20 273.444 3 ↓
Mid Mid (pH 6-8) 3.04 9.56 -100.42 3 2 2 21 274.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-ethyl-3-piperidyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[[(3R)-3-ethyl-3-piperidyl]met…

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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) 3.04 8 -36.1 2 2 1 20 273.444 3 ↓
Mid Mid (pH 6-8) 3.04 9.52 -108.93 3 2 2 21 274.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-methyl-3-piperidyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[[(3S)-3-methyl-3-piperidyl]me…

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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) 2.70 7.64 -39.58 2 2 1 20 259.417 2 ↓
Mid Mid (pH 6-8) 2.70 9.09 -100.89 3 2 2 21 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-methyl-3-piperidyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[[(3R)-3-methyl-3-piperidyl]me…

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) 2.70 7.61 -39.64 2 2 1 20 259.417 2 ↓
Mid Mid (pH 6-8) 2.70 9.14 -100.79 3 2 2 21 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-propyl-3-piperidyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[[(3S)-3-propyl-3-piperidyl]me…

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) 3.60 8.6 -39.8 2 2 1 20 287.471 4 ↓
Mid Mid (pH 6-8) 3.60 10.24 -107.98 3 2 2 21 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-propyl-3-piperidyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[[(3R)-3-propyl-3-piperidyl]me…

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) 3.60 8.85 -41.03 2 2 1 20 287.471 4 ↓
Mid Mid (pH 6-8) 3.60 10.29 -109.25 3 2 2 21 288.479 4 ↓

Parameters Provided:

ring.id = 314661
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 = 314661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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