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Analogs

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Popular Name: (1S,2R)-2-(cyclopropylmethylamino)cyclopentanecarbonitrile (1S,2R)-2-(cyclopropylmethylamin…

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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) 2.02 6.04 -41.12 2 2 1 40 165.26 3 ↓
Hi High (pH 8-9.5) 2.02 5.13 -5.85 1 2 0 36 164.252 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(cyclopropylmethylamino)cyclopentanecarbonitrile (1R,2R)-2-(cyclopropylmethylamin…

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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) 2.02 5.93 -44.6 2 2 1 40 165.26 3 ↓
Hi High (pH 8-9.5) 2.02 4.8 -5.21 1 2 0 36 164.252 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(cyclopropylmethylamino)cyclopentanecarbonitrile (1S,2S)-2-(cyclopropylmethylamin…

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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) 2.02 5.91 -45.69 2 2 1 40 165.26 3 ↓
Hi High (pH 8-9.5) 2.02 4.7 -4.43 1 2 0 36 164.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(cyclopropylmethylamino)cyclopentanecarbonitrile (1R,2S)-2-(cyclopropylmethylamin…

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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) 2.02 6.04 -42.59 2 2 1 40 165.26 3 ↓
Hi High (pH 8-9.5) 2.02 4.95 -6.57 1 2 0 36 164.252 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1S)-1-cyclopropylethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S)-1-cyclopropylet…

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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) 2.35 6.38 -35.72 2 2 1 40 179.287 3 ↓
Hi High (pH 8-9.5) 2.35 5.26 -5.28 1 2 0 36 178.279 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1R)-1-cyclopropylethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R)-1-cyclopropylet…

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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) 2.35 6.49 -36.07 2 2 1 40 179.287 3 ↓
Hi High (pH 8-9.5) 2.35 5.51 -5.44 1 2 0 36 178.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-cyclopropylethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1S)-1-cyclopropylet…

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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) 2.35 6.19 -43.79 2 2 1 40 179.287 3 ↓
Hi High (pH 8-9.5) 2.35 5.2 -5.56 1 2 0 36 178.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-cyclopropylethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1R)-1-cyclopropylet…

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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) 2.35 6.32 -43.89 2 2 1 40 179.287 3 ↓
Hi High (pH 8-9.5) 2.35 5.17 -5.71 1 2 0 36 178.279 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[cyclopropylmethyl(ethyl)amino]cyclopentanecarboxylic (1S,2R)-2-[cyclopropylmethyl(eth…

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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) 2.10 8.5 -28.23 1 3 0 45 211.305 5 ↓

Analogs

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Popular Name: (1S,2S)-2-[cyclopropylmethyl(ethyl)amino]cyclopentanecarboxylic (1S,2S)-2-[cyclopropylmethyl(eth…

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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) 2.10 8.35 -44.41 1 3 0 45 211.305 5 ↓

Analogs

42559012
42559012
42559016
42559016

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Popular Name: (1S,2R)-2-[cyclopropylmethyl(ethyl)amino]cyclopentanol (1S,2R)-2-[cyclopropylmethyl(eth…

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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) 1.84 5.25 -26.66 2 2 1 25 184.303 4 ↓

Analogs

42559012
42559012
42559016
42559016

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclopropylmethyl(ethyl)amino]cyclopentanol (1S,2S)-2-[cyclopropylmethyl(eth…

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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) 1.84 4.72 -29.78 2 2 1 25 184.303 4 ↓

Analogs

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

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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) 1.79 4.87 -26.39 2 2 1 25 184.303 3 ↓

Analogs

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

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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) 1.79 5.03 -26.41 2 2 1 25 184.303 3 ↓

Analogs

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Popular Name: (2S)-2-(cyclopentylamino)-2-cyclopropyl-propan-1-ol (2S)-2-(cyclopentylamino)-2-cycl…

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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 3.12 -34.06 3 2 1 37 184.303 4 ↓

Analogs

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Popular Name: (2R)-2-(cyclopentylamino)-2-cyclopropyl-propan-1-ol (2R)-2-(cyclopentylamino)-2-cycl…

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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 3.25 -33.94 3 2 1 37 184.303 4 ↓

Analogs

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Popular Name: [1-(cyclopropylmethylamino)cyclopentyl]methanol [1-(cyclopropylmethylamino)cyclo…

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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) 1.81 2.83 -35.79 3 2 1 37 170.276 4 ↓

Parameters Provided:

ring.id = 156131
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 = 156131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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