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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: (2R)-2-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-tetralin-2-amine (2R)-2-(aminomethyl)-N-(cyclobut…

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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) 2.56 8.18 -128.06 4 2 2 32 260.425 4 ↓
Hi High (pH 8-9.5) 2.56 6.13 -1.62 2 2 0 29 258.409 4 ↓
Mid Mid (pH 6-8) 2.56 7.7 -32.47 3 2 1 30 259.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-tetralin-2-amine (2S)-2-(aminomethyl)-N-(cyclobut…

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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) 2.56 8.18 -128.37 4 2 2 32 260.425 4 ↓
Hi High (pH 8-9.5) 2.56 5.88 -1.22 2 2 0 29 258.409 4 ↓
Mid Mid (pH 6-8) 2.56 7.7 -32.55 3 2 1 30 259.417 4 ↓

Analogs

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Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-6-methoxy-N2-methyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclobutylmethyl)-6-…

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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) 1.03 7.29 -38.19 3 3 1 40 275.416 4 ↓
Hi High (pH 8-9.5) 1.03 5.37 -3.39 2 3 0 38 274.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-6-methoxy-N2-methyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclobutylmethyl)-6-…

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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) 1.03 6.82 -38.28 3 3 1 40 275.416 4 ↓
Hi High (pH 8-9.5) 1.03 4.74 -3.28 2 3 0 38 274.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N2-methyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclobutylmethyl)-N2…

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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) 1.00 7.99 -35.42 3 2 1 30 245.39 3 ↓
Hi High (pH 8-9.5) 1.00 6.07 -1.96 2 2 0 29 244.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N2-methyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclobutylmethyl)-N2…

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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) 1.00 7.52 -35.71 3 2 1 30 245.39 3 ↓
Hi High (pH 8-9.5) 1.00 5.45 -1.89 2 2 0 29 244.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-tetralin-1,2-diamine (1R,2S)-N2-(cyclobutylmethyl)-N1…

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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) 3.63 9.73 -36.71 2 2 1 16 273.444 5 ↓
Hi High (pH 8-9.5) 3.63 8.05 -1.64 1 2 0 15 272.436 5 ↓
Lo Low (pH 4.5-6) 3.63 10.69 -115.34 3 2 2 21 274.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclobutylmethyl)-N1…

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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) 3.63 9.19 -36.88 2 2 1 16 273.444 5 ↓
Hi High (pH 8-9.5) 3.63 6.97 -0.95 1 2 0 15 272.436 5 ↓
Lo Low (pH 4.5-6) 3.63 10.25 -117.73 3 2 2 21 274.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-tetralin-1,2-diamine (1R,2R)-N2-(cyclobutylmethyl)-N1…

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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) 3.63 8.87 -33.69 2 2 1 16 273.444 5 ↓
Hi High (pH 8-9.5) 3.63 7.98 -0.97 1 2 0 15 272.436 5 ↓
Lo Low (pH 4.5-6) 3.63 10.14 -118.25 3 2 2 21 274.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclobutylmethyl)-N1…

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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) 3.63 9.61 -32.77 2 2 1 16 273.444 5 ↓
Hi High (pH 8-9.5) 3.63 7.25 -1.2 1 2 0 15 272.436 5 ↓
Lo Low (pH 4.5-6) 3.63 10.57 -116.4 3 2 2 21 274.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-6-methoxy-N1,N2-dimethyl-tetralin-1,2-diamine (1R,2S)-N2-(cyclobutylmethyl)-6-…

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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) 3.28 8.03 -39.43 2 3 1 26 289.443 5 ↓
Hi High (pH 8-9.5) 3.28 6.32 -3.1 1 3 0 24 288.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-6-methoxy-N1,N2-dimethyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclobutylmethyl)-6-…

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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) 3.28 7.57 -38.89 2 3 1 26 289.443 5 ↓
Hi High (pH 8-9.5) 3.28 5.33 -2.34 1 3 0 24 288.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-6-methoxy-N1,N2-dimethyl-tetralin-1,2-diamine (1R,2R)-N2-(cyclobutylmethyl)-6-…

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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) 3.28 7.34 -35.91 2 3 1 26 289.443 5 ↓
Hi High (pH 8-9.5) 3.28 6.64 -2.46 1 3 0 24 288.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-6-methoxy-N1,N2-dimethyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclobutylmethyl)-6-…

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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) 3.28 8 -34.98 2 3 1 26 289.443 5 ↓
Hi High (pH 8-9.5) 3.28 5.64 -2.78 1 3 0 24 288.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-tetralin-1,2-diamine (1R,2S)-N2-(cyclobutylmethyl)-N1…

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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) 3.25 8.74 -36.82 2 2 1 16 259.417 4 ↓
Hi High (pH 8-9.5) 3.25 7.02 -1.78 1 2 0 15 258.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclobutylmethyl)-N1…

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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) 3.25 8.27 -36.58 2 2 1 16 259.417 4 ↓
Hi High (pH 8-9.5) 3.25 6.03 -1.03 1 2 0 15 258.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-tetralin-1,2-diamine (1R,2R)-N2-(cyclobutylmethyl)-N1…

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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) 3.25 8.03 -33.45 2 2 1 16 259.417 4 ↓
Hi High (pH 8-9.5) 3.25 7.33 -1.19 1 2 0 15 258.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclobutylmethyl)-N1…

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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) 3.25 8.7 -32.52 2 2 1 16 259.417 4 ↓
Hi High (pH 8-9.5) 3.25 6.34 -1.43 1 2 0 15 258.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-tetralin-1,2-diamine (1R,2S)-N2-(cyclobutylmethyl)-N2…

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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) 4.13 10.4 -37.36 2 2 1 16 287.471 6 ↓
Hi High (pH 8-9.5) 4.13 8.68 -1.46 1 2 0 15 286.463 6 ↓
Lo Low (pH 4.5-6) 4.13 11.36 -118.69 3 2 2 21 288.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclobutylmethyl)-N2…

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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) 4.13 9.94 -37.19 2 2 1 16 287.471 6 ↓
Hi High (pH 8-9.5) 4.13 7.71 -0.86 1 2 0 15 286.463 6 ↓
Lo Low (pH 4.5-6) 4.13 11.01 -119.84 3 2 2 21 288.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-tetralin-1,2-diamine (1R,2R)-N2-(cyclobutylmethyl)-N2…

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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) 4.13 9.69 -33.9 2 2 1 16 287.471 6 ↓
Hi High (pH 8-9.5) 4.13 7.37 -1.4 1 2 0 15 286.463 6 ↓
Lo Low (pH 4.5-6) 4.13 10.99 -119.55 3 2 2 21 288.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclobutylmethyl)-N2…

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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) 4.13 10.56 -33.3 2 2 1 16 287.471 6 ↓
Hi High (pH 8-9.5) 4.13 8.27 -1.09 1 2 0 15 286.463 6 ↓
Lo Low (pH 4.5-6) 4.13 11.47 -118.3 3 2 2 21 288.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclobutylmethyl(methyl)amino]tetralin-1-ol (1S,2R)-2-[cyclobutylmethyl(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) 2.70 7.64 -34.27 2 2 1 25 246.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclobutylmethyl(methyl)amino]tetralin-1-ol (1S,2S)-2-[cyclobutylmethyl(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) 2.70 7.3 -34.74 2 2 1 25 246.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclobutylmethyl(methyl)amino]-6-methoxy-tetralin-1-ol (1S,2R)-2-[cyclobutylmethyl(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) 2.73 6.94 -37.11 2 3 1 34 276.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclobutylmethyl(methyl)amino]-6-methoxy-tetralin-1-ol (1S,2S)-2-[cyclobutylmethyl(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) 2.73 6.6 -37.46 2 3 1 34 276.4 4 ↓

Parameters Provided:

ring.id = 217257
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 217257 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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