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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

22178549
22178549
22178552
22178552

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopentyl-N-methyl-1-(3-thienyl)ethane-1,2-diamine (1R)-N-cyclopentyl-N-methyl-1-(3…

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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) 1.72 3.22 -43.66 3 2 1 31 225.381 4 ↓
Mid Mid (pH 6-8) 1.72 5.31 -125.66 4 2 2 32 226.389 4 ↓
Mid Mid (pH 6-8) 1.72 4.96 -30.11 3 2 1 30 225.381 4 ↓

Analogs

22178549
22178549
22178552
22178552

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopentyl-N-methyl-1-(3-thienyl)ethane-1,2-diamine (1S)-N-cyclopentyl-N-methyl-1-(3…

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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) 1.72 3.89 -45.92 3 2 1 31 225.381 4 ↓
Mid Mid (pH 6-8) 1.72 5.43 -120.56 4 2 2 32 226.389 4 ↓
Mid Mid (pH 6-8) 1.72 5.74 -28.98 3 2 1 30 225.381 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R)-1-(2,5-dimethyl…

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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) 3.14 8.67 -39.32 2 2 1 40 249.403 3 ↓
Mid Mid (pH 6-8) 3.14 7.84 -7.81 1 2 0 36 248.395 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S)-1-(2,5-dimethyl…

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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) 3.14 8.5 -36.32 2 2 1 40 249.403 3 ↓
Mid Mid (pH 6-8) 3.14 7.63 -7.42 1 2 0 36 248.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1R)-1-(2,5-dimethyl…

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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) 3.14 8.32 -46.82 2 2 1 40 249.403 3 ↓
Mid Mid (pH 6-8) 3.14 7.5 -8 1 2 0 36 248.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1S)-1-(2,5-dimethyl…

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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) 3.14 8.54 -46.2 2 2 1 40 249.403 3 ↓
Mid Mid (pH 6-8) 3.14 7.55 -6.73 1 2 0 36 248.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-(3-thienyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S)-1-(3-thienyl)et…

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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) 2.69 7.04 -36.44 2 2 1 40 221.349 3 ↓
Mid Mid (pH 6-8) 2.69 5.95 -6.32 1 2 0 36 220.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-(3-thienyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R)-1-(3-thienyl)et…

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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) 2.69 7.06 -39.5 2 2 1 40 221.349 3 ↓
Mid Mid (pH 6-8) 2.69 6.13 -6.9 1 2 0 36 220.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(3-thienyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1S)-1-(3-thienyl)et…

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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) 2.69 6.86 -45.94 2 2 1 40 221.349 3 ↓
Mid Mid (pH 6-8) 2.69 5.88 -5.95 1 2 0 36 220.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(3-thienyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1R)-1-(3-thienyl)et…

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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) 2.69 6.83 -47.86 2 2 1 40 221.349 3 ↓
Mid Mid (pH 6-8) 2.69 5.79 -7.51 1 2 0 36 220.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-(3-thienyl)ethyl]amino]cyclopentanol (1S,2R)-2-[[(1S)-1-(3-thienyl)et…

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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) 1.89 3.78 -31.37 3 2 1 37 212.338 3 ↓
Hi High (pH 8-9.5) 1.89 2.67 -2.78 2 2 0 32 211.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-(3-thienyl)ethyl]amino]cyclopentanol (1S,2R)-2-[[(1R)-1-(3-thienyl)et…

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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) 1.89 3.8 -32.29 3 2 1 37 212.338 3 ↓
Hi High (pH 8-9.5) 1.89 2.85 -3.25 2 2 0 32 211.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(3-thienyl)ethyl]amino]cyclopentanol (1S,2S)-2-[[(1S)-1-(3-thienyl)et…

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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) 1.89 3.34 -36.25 3 2 1 37 212.338 3 ↓
Hi High (pH 8-9.5) 1.89 2.35 -3.03 2 2 0 32 211.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(3-thienyl)ethyl]amino]cyclopentanol (1S,2S)-2-[[(1R)-1-(3-thienyl)et…

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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) 1.89 3.32 -37.7 3 2 1 37 212.338 3 ↓
Hi High (pH 8-9.5) 1.89 2.27 -3.99 2 2 0 32 211.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-bromo-3-thienyl)methyl-cyclopentyl-amino]acetic 2-[(5-bromo-3-thienyl)methyl-cyc…

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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) 1.99 8.81 -26.38 1 3 0 45 318.236 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopentylamino)-2-(3-thienyl)ethanol (2S)-2-(cyclopentylamino)-2-(3-t…

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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 3.63 -34.62 3 2 1 37 212.338 4 ↓
Hi High (pH 8-9.5) 2.04 2.65 -3.14 2 2 0 32 211.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopentylamino)-2-(3-thienyl)ethanol (2R)-2-(cyclopentylamino)-2-(3-t…

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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 3.56 -34.86 3 2 1 37 212.338 4 ↓
Hi High (pH 8-9.5) 2.04 2.37 -2.79 2 2 0 32 211.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-(3-thienylmethyl)ethane-1,2-diamine N-cyclopentyl-N-(3-thienylmethyl…

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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) 1.53 3.19 -46.05 3 2 1 31 225.381 5 ↓
Mid Mid (pH 6-8) 1.53 5.38 -122.15 4 2 2 32 226.389 5 ↓
Mid Mid (pH 6-8) 1.53 4.99 -33.22 3 2 1 30 225.381 5 ↓

Parameters Provided:

ring.id = 139705
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 = 139705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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