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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: 2-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-indan-2-amine 2-(aminomethyl)-N-(cyclobutylmet…

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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) 2.04 7.67 -130.59 4 2 2 32 246.398 4 ↓
Hi High (pH 8-9.5) 2.04 4.89 -1.97 2 2 0 29 244.382 4 ↓
Mid Mid (pH 6-8) 2.04 7.27 -31.23 3 2 1 30 245.39 4 ↓

Analogs

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Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-indane-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) 2.73 8.48 -36.6 2 2 1 16 245.39 4 ↓
Hi High (pH 8-9.5) 2.73 6.76 -2.18 1 2 0 15 244.382 4 ↓
Lo Low (pH 4.5-6) 2.73 9.75 -117.41 3 2 2 21 246.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-indane-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) 2.73 8.14 -34.32 2 2 1 16 245.39 4 ↓
Hi High (pH 8-9.5) 2.73 5.81 -1.52 1 2 0 15 244.382 4 ↓
Lo Low (pH 4.5-6) 2.73 9.02 -118.13 3 2 2 21 246.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-indane-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) 2.73 7.68 -36.08 2 2 1 16 245.39 4 ↓
Hi High (pH 8-9.5) 2.73 5.03 -2.25 1 2 0 15 244.382 4 ↓
Lo Low (pH 4.5-6) 2.73 8.91 -114.73 3 2 2 21 246.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-indane-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) 2.73 8.25 -31.61 2 2 1 16 245.39 4 ↓
Hi High (pH 8-9.5) 2.73 6.06 -1.44 1 2 0 15 244.382 4 ↓
Lo Low (pH 4.5-6) 2.73 9.23 -112.47 3 2 2 21 246.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N2-methyl-indane-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) 0.48 7.65 -35.09 3 2 1 30 231.363 3 ↓
Hi High (pH 8-9.5) 0.48 5.67 -2.29 2 2 0 29 230.355 3 ↓
Mid Mid (pH 6-8) 0.48 5.99 -38.11 3 2 1 31 231.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N2-methyl-indane-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) 0.48 7.06 -34.88 3 2 1 30 231.363 3 ↓
Hi High (pH 8-9.5) 0.48 4.43 -2.11 2 2 0 29 230.355 3 ↓
Mid Mid (pH 6-8) 0.48 7.35 -121.19 4 2 2 32 232.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-indane-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) 3.11 9.31 -36.73 2 2 1 16 259.417 5 ↓
Hi High (pH 8-9.5) 3.11 7.59 -2 1 2 0 15 258.409 5 ↓
Mid Mid (pH 6-8) 3.11 10.52 -116.73 3 2 2 21 260.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-indane-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) 3.11 8.92 -34.66 2 2 1 16 259.417 5 ↓
Hi High (pH 8-9.5) 3.11 6.59 -1.32 1 2 0 15 258.409 5 ↓
Mid Mid (pH 6-8) 3.11 9.73 -117.34 3 2 2 21 260.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-indane-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) 3.11 8.72 -36.37 2 2 1 16 259.417 5 ↓
Hi High (pH 8-9.5) 3.11 6.45 -2.46 1 2 0 15 258.409 5 ↓
Mid Mid (pH 6-8) 3.11 9.85 -113.72 3 2 2 21 260.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-indane-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) 3.11 9.08 -32.07 2 2 1 16 259.417 5 ↓
Hi High (pH 8-9.5) 3.11 6.94 -1.13 1 2 0 15 258.409 5 ↓
Mid Mid (pH 6-8) 3.11 9.98 -113.99 3 2 2 21 260.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-indane-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) 3.61 10.07 -36.97 2 2 1 16 273.444 6 ↓
Hi High (pH 8-9.5) 3.61 9.29 -31.75 2 2 1 20 273.444 6 ↓
Hi High (pH 8-9.5) 3.61 8.35 -1.88 1 2 0 15 272.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-indane-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) 3.61 9.69 -34.97 2 2 1 16 273.444 6 ↓
Hi High (pH 8-9.5) 3.61 7.35 -1.25 1 2 0 15 272.436 6 ↓
Hi High (pH 8-9.5) 3.61 8.22 -35.63 2 2 1 20 273.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-indane-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) 3.61 9.38 -36.42 2 2 1 16 273.444 6 ↓
Hi High (pH 8-9.5) 3.61 6.73 -1.91 1 2 0 15 272.436 6 ↓
Hi High (pH 8-9.5) 3.61 7.86 -36.59 2 2 1 20 273.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-indane-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) 3.61 9.84 -32.39 2 2 1 16 273.444 6 ↓
Hi High (pH 8-9.5) 3.61 7.7 -1 1 2 0 15 272.436 6 ↓
Hi High (pH 8-9.5) 3.61 9.53 -34.34 2 2 1 20 273.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclobutylmethyl(methyl)amino]indan-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) 2.18 7.39 -34.21 2 2 1 25 232.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclobutylmethyl(methyl)amino]indan-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) 2.18 6.77 -34.66 2 2 1 25 232.347 3 ↓

Parameters Provided:

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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 = 217255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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