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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: N-cyclopentyl-2-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]acetamide N-cyclopentyl-2-[[(1S,2R,4R)-2,4…

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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) 3.26 6.85 -38.44 3 3 1 46 253.41 4 ↓
Hi High (pH 8-9.5) 3.26 6.04 -6.2 2 3 0 41 252.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]acetamide N-cyclopentyl-2-[[(1S,2R,4S)-2,4…

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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) 3.26 6.44 -39.83 3 3 1 46 253.41 4 ↓
Hi High (pH 8-9.5) 3.26 5.41 -6.14 2 3 0 41 252.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]acetamide N-cyclopentyl-2-[[(1R,2R,4R)-2,4…

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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) 3.26 6.65 -39.19 3 3 1 46 253.41 4 ↓
Hi High (pH 8-9.5) 3.26 5.68 -6.24 2 3 0 41 252.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]acetamide N-cyclopentyl-2-[[(1R,2R,4S)-2,4…

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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) 3.26 6.41 -39.34 3 3 1 46 253.41 4 ↓
Hi High (pH 8-9.5) 3.26 5.45 -6.17 2 3 0 41 252.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]propanamide (2S)-N-cyclopentyl-2-[[(1S,2R,4R…

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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) 3.09 7.38 -34.66 3 3 1 46 267.437 4 ↓
Hi High (pH 8-9.5) 3.09 6.72 -6.71 2 3 0 41 266.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]propanamide (2S)-N-cyclopentyl-2-[[(1S,2R,4S…

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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) 3.09 6.95 -35.91 3 3 1 46 267.437 4 ↓
Hi High (pH 8-9.5) 3.09 6.12 -6.63 2 3 0 41 266.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]propanamide (2S)-N-cyclopentyl-2-[[(1R,2R,4R…

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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) 3.09 7.13 -36.62 3 3 1 46 267.437 4 ↓
Hi High (pH 8-9.5) 3.09 6.34 -7.04 2 3 0 41 266.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]propanamide (2S)-N-cyclopentyl-2-[[(1R,2R,4S…

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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) 3.09 6.91 -36.56 3 3 1 46 267.437 4 ↓
Hi High (pH 8-9.5) 3.09 6.11 -6.96 2 3 0 41 266.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentyl-propanamide (2S)-2-[3-aminopropyl(cyclohexyl…

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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) 2.16 3.94 -50.71 4 4 1 60 296.479 7 ↓
Hi High (pH 8-9.5) 2.16 5.54 -33.34 4 4 1 60 296.479 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentyl-propanamide (2R)-2-[3-aminopropyl(cyclohexyl…

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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) 2.16 4.08 -51.65 4 4 1 60 296.479 7 ↓
Hi High (pH 8-9.5) 2.16 5.59 -33.38 4 4 1 60 296.479 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentyl-acetamide 2-[3-aminopropyl(cyclohexyl)amin…

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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) 2.33 3.81 -43.22 4 4 1 60 282.452 7 ↓
Mid Mid (pH 6-8) 2.33 5.34 -34.41 4 4 1 60 282.452 7 ↓

Analogs

42581880
42581880

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[(4-propylcyclohexyl)amino]acetamide N-cyclopentyl-2-[(4-propylcycloh…

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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) 4.03 7.39 -40.26 3 3 1 46 267.437 6 ↓
Hi High (pH 8-9.5) 4.03 6.21 -6.43 2 3 0 41 266.429 6 ↓

Analogs

34936873
34936873
34936874
34936874

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[(4-propylcyclohexyl)amino]propanamide (2S)-N-cyclopentyl-2-[(4-propylc…

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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) 3.86 7.89 -36.49 3 3 1 46 281.464 6 ↓
Hi High (pH 8-9.5) 3.86 6.91 -7.02 2 3 0 41 280.456 6 ↓

Analogs

34936873
34936873
34936874
34936874

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[(4-propylcyclohexyl)amino]propanamide (2R)-N-cyclopentyl-2-[(4-propylc…

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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) 3.86 8.11 -35.84 3 3 1 46 281.464 6 ↓
Hi High (pH 8-9.5) 3.86 7.17 -5.97 2 3 0 41 280.456 6 ↓

Parameters Provided:

ring.id = 29644
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 = 29644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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