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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-cyclooctanamine 1-(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) 3.18 7.21 -117.52 4 2 2 32 240.435 4 ↓
Mid Mid (pH 6-8) 3.18 5.92 -45.07 3 2 1 31 239.427 4 ↓
Mid Mid (pH 6-8) 3.18 6.88 -29.61 3 2 1 30 239.427 4 ↓

Analogs

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Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-cyclooctane-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) 3.57 7.89 -34.41 2 2 1 16 239.427 4 ↓
Lo Low (pH 4.5-6) 3.57 8.84 -111.49 3 2 2 21 240.435 4 ↓

Analogs

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Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-cyclooctane-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) 3.57 8.54 -29.82 2 2 1 16 239.427 4 ↓
Lo Low (pH 4.5-6) 3.57 8.85 -112.65 3 2 2 21 240.435 4 ↓

Analogs

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Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-cyclooctane-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) 3.57 8.6 -30.28 2 2 1 16 239.427 4 ↓
Lo Low (pH 4.5-6) 3.57 8.87 -114.08 3 2 2 21 240.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-cyclooctane-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) 3.57 7.72 -29.05 2 2 1 16 239.427 4 ↓
Lo Low (pH 4.5-6) 3.57 8.69 -113.35 3 2 2 21 240.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-cyclooctane-1,2-diamine (1R,2S)-N1-(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) 2.66 6.77 -118.62 4 2 2 32 226.408 3 ↓
Hi High (pH 8-9.5) 2.66 4.63 -39.07 3 2 1 31 225.4 3 ↓
Mid Mid (pH 6-8) 2.66 6.54 -31.91 3 2 1 30 225.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1-(cyclobutylmethyl)-N1-methyl-cyclooctane-1,2-diamine (1S,2S)-N1-(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) 2.66 7.09 -121.2 4 2 2 32 226.408 3 ↓
Hi High (pH 8-9.5) 2.66 5.53 -37.82 3 2 1 31 225.4 3 ↓
Mid Mid (pH 6-8) 2.66 7.29 -29.71 3 2 1 30 225.4 3 ↓

Analogs

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Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-cyclooctane-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) 3.94 8.76 -34.63 2 2 1 16 253.454 5 ↓
Mid Mid (pH 6-8) 3.94 9.67 -111.19 3 2 2 21 254.462 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-cyclooctane-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) 3.94 9.52 -29.85 2 2 1 16 253.454 5 ↓
Mid Mid (pH 6-8) 3.94 9.77 -112.42 3 2 2 21 254.462 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-cyclooctane-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) 3.94 9.46 -30.38 2 2 1 16 253.454 5 ↓
Mid Mid (pH 6-8) 3.94 9.7 -112.88 3 2 2 21 254.462 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-cyclooctane-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) 3.94 8.74 -29.27 2 2 1 16 253.454 5 ↓
Mid Mid (pH 6-8) 3.94 9.65 -112.3 3 2 2 21 254.462 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclobutylmethyl(methyl)amino]cyclooctanol (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) 3.15 6.1 -31.23 2 2 1 25 226.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclobutylmethyl(methyl)amino]cyclooctanol (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) 3.15 6.51 -29.06 2 2 1 25 226.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)cyclooctanamine N-(cyclobutylmethyl)cyclooctanamine

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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) 4.06 7.54 -36.27 2 1 1 17 196.358 3 ↓

Parameters Provided:

ring.id = 217287
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 = 217287 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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