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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: (1S,2S)-2-[[cycloheptyl(methyl)amino]methyl]cyclopentanol (1S,2S)-2-[[cycloheptyl(methyl)a…

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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) 3.39 6.26 -31.28 2 2 1 25 226.384 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[cycloheptyl(methyl)amino]methyl]cyclopentanol (1S,2R)-2-[[cycloheptyl(methyl)a…

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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) 3.39 6.23 -33.43 2 2 1 25 226.384 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(cyclopentylmethylamino)cycloheptanecarbonitrile (1S,2R)-2-(cyclopentylmethylamin…

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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 7.88 -42.66 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.94 6.99 -4.54 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(cyclopentylmethylamino)cycloheptanecarbonitrile (1R,2R)-2-(cyclopentylmethylamin…

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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 8.11 -39.05 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.94 7.31 -5.03 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(cyclopentylmethylamino)cycloheptanecarbonitrile (1S,2S)-2-(cyclopentylmethylamin…

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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 8.11 -39.03 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.94 6.72 -4.7 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(cyclopentylmethylamino)cycloheptanecarbonitrile (1R,2S)-2-(cyclopentylmethylamin…

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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 7.88 -43.06 2 2 1 40 221.368 3 ↓
Hi High (pH 8-9.5) 3.94 6.98 -5.42 1 2 0 36 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-cyclopentylethyl]amino]cycloheptanol (1S,2R)-2-[[(1S)-1-cyclopentylet…

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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) 3.47 5.01 -31.93 3 2 1 37 226.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-cyclopentylethyl]amino]cycloheptanol (1S,2R)-2-[[(1R)-1-cyclopentylet…

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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) 3.47 5.03 -31.61 3 2 1 37 226.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-cyclopentylethyl]amino]cycloheptanol (1S,2S)-2-[[(1S)-1-cyclopentylet…

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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) 3.47 5.25 -30.45 3 2 1 37 226.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-cyclopentylethyl]amino]cycloheptanol (1S,2S)-2-[[(1R)-1-cyclopentylet…

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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) 3.47 5.1 -30.95 3 2 1 37 226.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-cyclopentylethyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1S)-1-cyclopentylet…

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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) 4.27 8.18 -39.57 2 2 1 40 235.395 3 ↓
Hi High (pH 8-9.5) 4.27 7.33 -4.96 1 2 0 36 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-cyclopentylethyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1R)-1-cyclopentylet…

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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) 4.27 8.37 -39.56 2 2 1 40 235.395 3 ↓
Hi High (pH 8-9.5) 4.27 7.52 -5.34 1 2 0 36 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-cyclopentylethyl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1S)-1-cyclopentylet…

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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) 4.27 8.52 -36.61 2 2 1 40 235.395 3 ↓
Hi High (pH 8-9.5) 4.27 7.85 -4.98 1 2 0 36 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-cyclopentylethyl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1R)-1-cyclopentylet…

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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) 4.27 8.12 -36.2 2 2 1 40 235.395 3 ↓
Hi High (pH 8-9.5) 4.27 7.84 -4.65 1 2 0 36 234.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)cycloheptanamine N-(cyclopentylmethyl)cycloheptan…

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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) 4.29 7.75 -36.82 2 1 1 17 196.358 3 ↓

Parameters Provided:

ring.id = 111123
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 = 111123 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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