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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: (1R)-1-(aminomethyl)-N-cyclopropyl-N-ethyl-tetralin-1-amine (1R)-1-(aminomethyl)-N-cycloprop…

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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) 2.32 6.54 -110.41 4 2 2 32 246.398 4 ↓
Hi High (pH 8-9.5) 2.32 4.75 -40.85 3 2 1 31 245.39 4 ↓
Mid Mid (pH 6-8) 2.32 6.23 -29.06 3 2 1 30 245.39 4 ↓

Analogs

19809476
19809476

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(aminomethyl)-N-cyclopropyl-N-ethyl-tetralin-1-amine (1S)-1-(aminomethyl)-N-cycloprop…

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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) 2.32 7.62 -115.99 4 2 2 32 246.398 4 ↓
Hi High (pH 8-9.5) 2.32 5.29 -40.77 3 2 1 31 245.39 4 ↓
Mid Mid (pH 6-8) 2.32 6.56 -25.46 3 2 1 30 245.39 4 ↓

Analogs

19809476
19809476

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(aminomethyl)-N-cyclopropyl-N-methyl-tetralin-1-amine (1R)-1-(aminomethyl)-N-cycloprop…

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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 6.6 -109.52 4 2 2 32 232.371 3 ↓
Mid Mid (pH 6-8) 1.95 6.28 -29.99 3 2 1 30 231.363 3 ↓
Mid Mid (pH 6-8) 1.95 4.75 -42.69 3 2 1 31 231.363 3 ↓

Analogs

19809476
19809476

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(aminomethyl)-N-cyclopropyl-N-methyl-tetralin-1-amine (1S)-1-(aminomethyl)-N-cycloprop…

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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 7.11 -120.51 4 2 2 32 232.371 3 ↓
Mid Mid (pH 6-8) 1.95 7.05 -26.66 3 2 1 30 231.363 3 ↓
Mid Mid (pH 6-8) 1.95 5.01 -43.96 3 2 1 31 231.363 3 ↓

Analogs

19809476
19809476

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(aminomethyl)-N-cyclopropyl-N-propyl-tetralin-1-amine (1R)-1-(aminomethyl)-N-cycloprop…

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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) 2.83 7.31 -111.51 4 2 2 32 260.425 5 ↓
Hi High (pH 8-9.5) 2.83 6.04 -43.62 3 2 1 31 259.417 5 ↓
Mid Mid (pH 6-8) 2.83 6.97 -27.79 3 2 1 30 259.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(aminomethyl)-N-cyclopropyl-N-propyl-tetralin-1-amine (1S)-1-(aminomethyl)-N-cycloprop…

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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) 2.83 8.13 -118.43 4 2 2 32 260.425 5 ↓
Hi High (pH 8-9.5) 2.83 6.14 -43.88 3 2 1 31 259.417 5 ↓
Mid Mid (pH 6-8) 2.83 7.75 -26.45 3 2 1 30 259.417 5 ↓

Analogs

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Popular Name: (1R)-1-(cyclopropylamino)-6-methoxy-tetralin-1-carboxylic (1R)-1-(cyclopropylamino)-6-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) 2.17 6.87 -33 2 4 0 66 261.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(cyclopropylamino)-6-methoxy-tetralin-1-carboxylic (1S)-1-(cyclopropylamino)-6-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) 2.17 7.07 -32.93 2 4 0 66 261.321 4 ↓

Analogs

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Popular Name: (1R)-1-(cyclopropylamino)tetralin-1-carboxylic (1R)-1-(cyclopropylamino)tetrali…

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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) 2.14 7.56 -32.6 2 3 0 57 231.295 3 ↓

Analogs

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Popular Name: (1S)-1-(cyclopropylamino)tetralin-1-carboxylic (1S)-1-(cyclopropylamino)tetrali…

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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) 2.14 7.77 -32.74 2 3 0 57 231.295 3 ↓

Analogs

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Popular Name: (1R)-1-(cyclopropylamino)-4,4-dimethyl-tetralin-1-carboxylic (1R)-1-(cyclopropylamino)-4,4-di…

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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) 2.87 8.4 -32.03 2 3 0 57 259.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(cyclopropylamino)-4,4-dimethyl-tetralin-1-carboxylic (1S)-1-(cyclopropylamino)-4,4-di…

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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) 2.87 8.6 -32.18 2 3 0 57 259.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(cyclopropylamino)-6-methoxy-tetralin-1-yl]methanol [(1R)-1-(cyclopropylamino)-6-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) 2.30 3.82 -36.6 3 3 1 46 248.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(cyclopropylamino)-6-methoxy-tetralin-1-yl]methanol [(1S)-1-(cyclopropylamino)-6-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) 2.30 3.79 -36.84 3 3 1 46 248.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(cyclopropylamino)-4,4-dimethyl-tetralin-1-yl]methanol [(1R)-1-(cyclopropylamino)-4,4-d…

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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) 2.99 5.2 -35.18 3 2 1 37 246.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(cyclopropylamino)-4,4-dimethyl-tetralin-1-yl]methanol [(1S)-1-(cyclopropylamino)-4,4-d…

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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) 2.99 5.34 -34.26 3 2 1 37 246.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(cyclopropylamino)tetralin-1-yl]methanol [(1R)-1-(cyclopropylamino)tetral…

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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) 2.27 4.52 -33.71 3 2 1 37 218.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(cyclopropylamino)tetralin-1-yl]methanol [(1S)-1-(cyclopropylamino)tetral…

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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) 2.27 4.49 -33.89 3 2 1 37 218.32 3 ↓

Parameters Provided:

ring.id = 137900
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 = 137900 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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