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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: 1-[4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]piperazin-1-yl]ethanone 1-[4-[(4S)-1,2,3,4-tetrahydroiso…

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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) 0.55 4.3 -49.64 2 4 1 40 260.361 1 ↓
Mid Mid (pH 6-8) 0.55 2.93 -9.29 1 4 0 36 259.353 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4R)-1,2,3,4-tetrahydroisoquinolin-4-yl]piperazin-1-yl]ethanone 1-[4-[(4R)-1,2,3,4-tetrahydroiso…

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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) 0.55 4.32 -50.96 2 4 1 40 260.361 1 ↓
Mid Mid (pH 6-8) 0.55 2.98 -7.62 1 4 0 36 259.353 1 ↓

Analogs

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Popular Name: (4S)-4-(4-isopropylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (4S)-4-(4-isopropylpiperazin-1-y…

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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 6.41 -96.08 3 3 2 24 261.413 2 ↓
Hi High (pH 8-9.5) 1.86 2.83 -2.39 1 3 0 19 259.397 2 ↓
Mid Mid (pH 6-8) 1.86 5.04 -32.47 2 3 1 20 260.405 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-isopropylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (4R)-4-(4-isopropylpiperazin-1-y…

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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 6.44 -96.1 3 3 2 24 261.413 2 ↓
Hi High (pH 8-9.5) 1.86 2.86 -1.92 1 3 0 19 259.397 2 ↓
Mid Mid (pH 6-8) 1.86 5.06 -31.89 2 3 1 20 260.405 2 ↓

Analogs

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Popular Name: (4S)-4-(4-tert-butylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (4S)-4-(4-tert-butylpiperazin-1-…

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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) 2.37 6.63 -95.92 3 3 2 24 275.44 2 ↓
Hi High (pH 8-9.5) 2.37 3.13 -2.18 1 3 0 19 273.424 2 ↓
Mid Mid (pH 6-8) 2.37 5.26 -31.34 2 3 1 20 274.432 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-tert-butylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (4R)-4-(4-tert-butylpiperazin-1-…

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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) 2.37 6.66 -95.95 3 3 2 24 275.44 2 ↓
Hi High (pH 8-9.5) 2.37 3.16 -1.67 1 3 0 19 273.424 2 ↓
Mid Mid (pH 6-8) 2.37 5.28 -30.82 2 3 1 20 274.432 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[4-[(1R)-1-methylpropyl]piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline (4S)-4-[4-[(1R)-1-methylpropyl]p…

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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 7.02 -96.78 3 3 2 24 275.44 3 ↓
Hi High (pH 8-9.5) 2.40 3.69 -2.03 1 3 0 19 273.424 3 ↓
Mid Mid (pH 6-8) 2.40 5.63 -32.42 2 3 1 20 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline (4S)-4-[4-[(1S)-1-methylpropyl]p…

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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 7.02 -96.67 3 3 2 24 275.44 3 ↓
Hi High (pH 8-9.5) 2.40 3.74 -1.99 1 3 0 19 273.424 3 ↓
Mid Mid (pH 6-8) 2.40 5.63 -32.23 2 3 1 20 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[4-[(1R)-1-methylpropyl]piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline (4R)-4-[4-[(1R)-1-methylpropyl]p…

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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 7.03 -96.63 3 3 2 24 275.44 3 ↓
Hi High (pH 8-9.5) 2.40 3.84 -1.53 1 3 0 19 273.424 3 ↓
Mid Mid (pH 6-8) 2.40 5.66 -31.75 2 3 1 20 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline (4R)-4-[4-[(1S)-1-methylpropyl]p…

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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 7.03 -96.8 3 3 2 24 275.44 3 ↓
Hi High (pH 8-9.5) 2.40 3.77 -1.52 1 3 0 19 273.424 3 ↓
Mid Mid (pH 6-8) 2.40 5.67 -31.92 2 3 1 20 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-isobutylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (4S)-4-(4-isobutylpiperazin-1-yl…

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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) 2.31 7.33 -98.43 3 3 2 24 275.44 3 ↓
Hi High (pH 8-9.5) 2.31 4 -2.17 1 3 0 19 273.424 3 ↓
Mid Mid (pH 6-8) 2.31 5.96 -34.41 2 3 1 20 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-isobutylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (4R)-4-(4-isobutylpiperazin-1-yl…

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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) 2.31 7.35 -98.36 3 3 2 24 275.44 3 ↓
Hi High (pH 8-9.5) 2.31 4.03 -1.6 1 3 0 19 273.424 3 ↓
Mid Mid (pH 6-8) 2.31 5.97 -33.59 2 3 1 20 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]piperazin-1-yl]ethanamine N,N-dimethyl-2-[4-[(4S)-1,2,3,4-…

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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) 1.22 4.91 -87.32 3 4 2 28 290.455 4 ↓
Hi High (pH 8-9.5) 1.22 1.05 -2.57 1 4 0 22 288.439 4 ↓
Mid Mid (pH 6-8) 1.22 3.54 -35.77 2 4 1 23 289.447 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[4-[(4R)-1,2,3,4-tetrahydroisoquinolin-4-yl]piperazin-1-yl]ethanamine N,N-dimethyl-2-[4-[(4R)-1,2,3,4-…

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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) 1.22 4.94 -86.65 3 4 2 28 290.455 4 ↓
Hi High (pH 8-9.5) 1.22 1.08 -2.22 1 4 0 22 288.439 4 ↓
Mid Mid (pH 6-8) 1.22 3.57 -34.52 2 4 1 23 289.447 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline (4R)-4-[4-(2,2,2-trifluoroethyl)…

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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) 2.11 4.21 -43.75 2 3 1 23 300.348 3 ↓
Mid Mid (pH 6-8) 2.11 2.89 -3.76 1 3 0 19 299.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline (4S)-4-[4-(2,2,2-trifluoroethyl)…

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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) 2.11 4.19 -44.25 2 3 1 23 300.348 3 ↓
Mid Mid (pH 6-8) 2.11 2.78 -3.87 1 3 0 19 299.34 3 ↓

Analogs

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Popular Name: (4S)-4-(4-methylsulfonylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (4S)-4-(4-methylsulfonylpiperazi…

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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) 0.56 1.93 -47.94 2 5 1 57 296.416 2 ↓
Mid Mid (pH 6-8) 0.56 0.53 -10.41 1 5 0 53 295.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-methylsulfonylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (4R)-4-(4-methylsulfonylpiperazi…

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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) 0.56 1.95 -48.03 2 5 1 57 296.416 2 ↓
Mid Mid (pH 6-8) 0.56 0.58 -10.02 1 5 0 53 295.408 2 ↓

Parameters Provided:

ring.id = 23564
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 = 23564 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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