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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: N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopropanamine N-[2-(1,3,4,5-tetrahydro-2-benza…

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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) 2.40 8.79 -115.91 3 2 2 21 232.371 4 ↓
Mid Mid (pH 6-8) 2.40 6.71 -38.82 2 2 1 20 231.363 4 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanenitrile (2R)-2-(cyclopropylamino)-2-meth…

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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) 2.62 6.73 -7.58 1 3 0 39 269.392 4 ↓
Mid Mid (pH 6-8) 2.62 8.89 -41.86 2 3 1 40 270.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanenitrile (2S)-2-(cyclopropylamino)-2-meth…

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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) 2.62 6.54 -5.53 1 3 0 39 269.392 4 ↓
Mid Mid (pH 6-8) 2.62 9.45 -42.99 2 3 1 40 270.4 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanenitrile (2S)-2-(cyclopropylamino)-3-(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) 2.17 6 -5.12 1 3 0 39 255.365 4 ↓
Mid Mid (pH 6-8) 2.17 8.24 -43.5 2 3 1 40 256.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanenitrile (2R)-2-(cyclopropylamino)-3-(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) 2.17 6.62 -5.66 1 3 0 39 255.365 4 ↓
Mid Mid (pH 6-8) 2.17 8.13 -48.08 2 3 1 40 256.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanamide (2R)-2-(cyclopropylamino)-2-meth…

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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) 1.57 6.62 -39.64 4 4 1 60 288.415 5 ↓
Hi High (pH 8-9.5) 1.57 4.85 -7.09 3 4 0 58 287.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanamide (2S)-2-(cyclopropylamino)-2-meth…

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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) 1.57 6.2 -41.06 4 4 1 60 288.415 5 ↓
Hi High (pH 8-9.5) 1.57 4.63 -7.98 3 4 0 58 287.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoic (2R)-2-(cyclopropylamino)-2-meth…

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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) 0.10 9.66 -63.21 3 4 1 61 289.399 5 ↓
Mid Mid (pH 6-8) 0.10 7.95 -29.2 2 4 0 60 288.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoic (2S)-2-(cyclopropylamino)-2-meth…

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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) 0.10 10 -66.38 3 4 1 61 289.399 5 ↓
Mid Mid (pH 6-8) 0.10 8.36 -30.87 2 4 0 60 288.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]cyclopropanamine N-[(2S)-2-(1,3,4,5-tetrahydro-2-…

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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) 2.73 9.42 -112.81 3 2 2 21 246.398 4 ↓
Mid Mid (pH 6-8) 2.73 7.76 -34.19 2 2 1 20 245.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]cyclopropanamine N-[(2R)-2-(1,3,4,5-tetrahydro-2-…

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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) 2.73 9.41 -112.56 3 2 2 21 246.398 4 ↓
Mid Mid (pH 6-8) 2.73 7.65 -34.36 2 2 1 20 245.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-3-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine N-[(2S)-3-methyl-2-(1,3,4,5-tetr…

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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) 3.51 10.76 -117.55 3 2 2 21 274.452 5 ↓
Mid Mid (pH 6-8) 3.51 8.78 -34.39 2 2 1 20 273.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-3-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine N-[(2R)-3-methyl-2-(1,3,4,5-tetr…

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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) 3.51 10.29 -113.68 3 2 2 21 274.452 5 ↓
Mid Mid (pH 6-8) 3.51 9.41 -37.11 2 2 1 20 273.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine N-[(2S)-2-(1,3,4,5-tetrahydro-2-…

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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) 3.27 10.21 -117.55 3 2 2 21 260.425 5 ↓
Mid Mid (pH 6-8) 3.27 8.41 -34.28 2 2 1 20 259.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine N-[(2R)-2-(1,3,4,5-tetrahydro-2-…

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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) 3.27 9.88 -113.4 3 2 2 21 260.425 5 ↓
Mid Mid (pH 6-8) 3.27 8 -34.68 2 2 1 20 259.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol (2R)-2-(cyclopropylamino)-2-meth…

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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) 2.20 7.12 -101.6 4 3 2 41 276.424 5 ↓
Hi High (pH 8-9.5) 2.20 7.41 -30.3 3 3 1 37 275.416 5 ↓
Mid Mid (pH 6-8) 2.20 5.51 -29.3 3 3 1 40 275.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol (2S)-2-(cyclopropylamino)-2-meth…

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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) 2.20 7.75 -100.52 4 3 2 41 276.424 5 ↓
Hi High (pH 8-9.5) 2.20 6.93 -29.76 3 3 1 37 275.416 5 ↓
Mid Mid (pH 6-8) 2.20 6.53 -30.37 3 3 1 40 275.416 5 ↓

Parameters Provided:

ring.id = 314604
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 = 314604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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