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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: (2R)-1-(cyclopropylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol (2R)-1-(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) 1.76 4.31 -39.39 3 3 1 40 261.389 5 ↓
Mid Mid (pH 6-8) 1.76 6.45 -106.61 4 3 2 41 262.397 5 ↓

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol (2S)-1-(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) 1.76 4.39 -38.67 3 3 1 40 261.389 5 ↓
Mid Mid (pH 6-8) 1.76 6.48 -106.14 4 3 2 41 262.397 5 ↓

Analogs

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Popular Name: N-[3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]cyclopropanamine N-[3-(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) 2.67 7.48 -38.5 2 2 1 20 245.39 5 ↓
Mid Mid (pH 6-8) 2.67 9.57 -105.03 3 2 2 21 246.398 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanenitrile (2S)-2-(cyclopropylamino)-4-(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) 2.44 8.85 -44.94 2 3 1 40 270.4 5 ↓
Hi High (pH 8-9.5) 2.44 6.74 -5.9 1 3 0 39 269.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanenitrile (2R)-2-(cyclopropylamino)-4-(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) 2.44 8.69 -51.38 2 3 1 40 270.4 5 ↓
Hi High (pH 8-9.5) 2.44 6.61 -8.15 1 3 0 39 269.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanenitrile (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) 2.89 8.65 -43.26 2 3 1 40 284.427 5 ↓
Hi High (pH 8-9.5) 2.89 6.56 -6.92 1 3 0 39 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanenitrile (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) 2.89 8.59 -42.73 2 3 1 40 284.427 5 ↓
Hi High (pH 8-9.5) 2.89 6.51 -6.02 1 3 0 39 283.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide (2S)-2-(cyclopropylamino)-4-(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) 1.95 5.29 -44.17 4 4 1 60 288.415 6 ↓
Lo Low (pH 4.5-6) 1.95 6.23 -121.27 5 4 2 64 289.423 6 ↓
Lo Low (pH 4.5-6) 1.95 4.16 -41.29 4 4 1 63 288.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide (2R)-2-(cyclopropylamino)-4-(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) 1.95 5.26 -50.46 4 4 1 60 288.415 6 ↓
Lo Low (pH 4.5-6) 1.95 4.16 -41.29 4 4 1 63 288.415 6 ↓
Lo Low (pH 4.5-6) 1.95 6.23 -121.29 5 4 2 64 289.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanoic (2S)-2-(cyclopropylamino)-4-(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) 0.45 8.03 -36.54 2 4 0 60 288.391 6 ↓
Mid Mid (pH 6-8) 0.45 10.2 -84.45 3 4 1 61 289.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanoic (2R)-2-(cyclopropylamino)-4-(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) 0.45 8.06 -35.71 2 4 0 60 288.391 6 ↓
Mid Mid (pH 6-8) 0.45 10.08 -81.97 3 4 1 61 289.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)butyl]cyclopropanamine N-[(2S)-2-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) 3.90 9.65 -36.72 2 2 1 20 287.471 6 ↓
Mid Mid (pH 6-8) 3.90 11.1 -100.53 3 2 2 21 288.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)butyl]cyclopropanamine N-[(2R)-2-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) 3.90 9.65 -36.74 2 2 1 20 287.471 6 ↓
Mid Mid (pH 6-8) 3.90 11.12 -100.25 3 2 2 21 288.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.56 9.15 -32.92 2 2 1 20 273.444 5 ↓
Mid Mid (pH 6-8) 3.56 10.67 -100.22 3 2 2 21 274.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine N-[(3S)-3-(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) 3.00 8.25 -35.61 2 2 1 20 259.417 5 ↓
Mid Mid (pH 6-8) 3.00 9.89 -104.29 3 2 2 21 260.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine N-[(3R)-3-(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) 3.00 8.32 -35.29 2 2 1 20 259.417 5 ↓
Mid Mid (pH 6-8) 3.00 9.91 -104.53 3 2 2 21 260.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-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) 2.48 4.92 -33.41 3 3 1 40 289.443 6 ↓
Mid Mid (pH 6-8) 2.48 7.01 -99.1 4 3 2 41 290.451 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-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) 2.48 4.96 -34.13 3 3 1 40 289.443 6 ↓
Mid Mid (pH 6-8) 2.48 7.03 -100.35 4 3 2 41 290.451 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-ol (2S)-2-(cyclopropylamino)-4-(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) 2.03 4.85 -35.6 3 3 1 40 275.416 6 ↓
Mid Mid (pH 6-8) 2.03 6.94 -107.27 4 3 2 41 276.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-ol (2R)-2-(cyclopropylamino)-4-(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) 2.03 4.85 -36.13 3 3 1 40 275.416 6 ↓
Mid Mid (pH 6-8) 2.03 6.96 -106.94 4 3 2 41 276.424 6 ↓

Parameters Provided:

ring.id = 314566
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 = 314566 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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