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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-piperidinecarboxamide, N-cyclohexyl-6-methyl- 2-piperidinecarboxamide, N-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) 2.33 4.74 -39.78 3 3 1 46 225.356 2 ↓
Hi High (pH 8-9.5) 2.33 3.49 -7.36 2 3 0 41 224.348 2 ↓

Analogs

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Popular Name: 2-piperidinecarboxamide, N-cyclohexyl-6-methyl- 2-piperidinecarboxamide, N-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) 2.33 4.93 -35.88 3 3 1 46 225.356 2 ↓
Hi High (pH 8-9.5) 2.33 3.67 -7.76 2 3 0 41 224.348 2 ↓

Analogs

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Popular Name: 2-piperidinecarboxamide, N-cyclohexyl-6-methyl- 2-piperidinecarboxamide, N-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) 2.33 4.92 -35.85 3 3 1 46 225.356 2 ↓
Hi High (pH 8-9.5) 2.33 3.69 -8.81 2 3 0 41 224.348 2 ↓

Analogs

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Popular Name: 2-piperidinecarboxamide, N-cyclohexyl-6-methyl- 2-piperidinecarboxamide, N-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) 2.33 4.74 -39.78 3 3 1 46 225.356 2 ↓
Hi High (pH 8-9.5) 2.33 3.5 -9.54 2 3 0 41 224.348 2 ↓

Analogs

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Popular Name: (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonyl-piperidine-2-carboxamide (2S)-N-methyl-N-(4-methylcyclohe…

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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) 1.64 6.09 -9.81 0 5 0 58 316.467 3 ↓

Analogs

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Popular Name: (2R)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonyl-piperidine-2-carboxamide (2R)-N-methyl-N-(4-methylcyclohe…

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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) 1.64 6.08 -10.93 0 5 0 58 316.467 3 ↓

Analogs

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Popular Name: (2S)-1-methylsulfonyl-N-(4-propylcyclohexyl)piperidine-2-carboxamide (2S)-1-methylsulfonyl-N-(4-propy…

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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) 2.64 5.76 -10.43 1 5 0 66 330.494 5 ↓

Analogs

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Popular Name: (2S)-1-propanoyl-N-(4-propylcyclohexyl)piperidine-2-carboxamide (2S)-1-propanoyl-N-(4-propylcycl…

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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) 3.46 9.32 -15.05 1 4 0 49 308.466 5 ↓

Analogs

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Popular Name: (2S)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]piperidine-2-carboxamide (2S)-N-[(1S,2R,4R)-2,4-dimethylc…

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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) 2.25 6.26 -35.33 3 3 1 46 239.383 2 ↓
Hi High (pH 8-9.5) 2.25 4.94 -6.39 2 3 0 41 238.375 2 ↓

Analogs

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Popular Name: (2S)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]piperidine-2-carboxamide (2S)-N-[(1S,2R,4S)-2,4-dimethylc…

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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) 2.25 5.47 -35.28 3 3 1 46 239.383 2 ↓
Hi High (pH 8-9.5) 2.25 4.14 -6.98 2 3 0 41 238.375 2 ↓

Analogs

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Popular Name: (2S)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]piperidine-2-carboxamide (2S)-N-[(1R,2R,4R)-2,4-dimethylc…

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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) 2.25 5.88 -35.43 3 3 1 46 239.383 2 ↓
Hi High (pH 8-9.5) 2.25 4.55 -7 2 3 0 41 238.375 2 ↓

Analogs

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Popular Name: (2S)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]piperidine-2-carboxamide (2S)-N-[(1R,2R,4S)-2,4-dimethylc…

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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) 2.25 5.64 -35.54 3 3 1 46 239.383 2 ↓
Hi High (pH 8-9.5) 2.25 4.32 -7.07 2 3 0 41 238.375 2 ↓

Analogs

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Popular Name: (2S,6S)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-6-methyl-piperidine-2-carboxamide (2S,6S)-N-[(1S,2R,4R)-2,4-dimeth…

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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) 2.58 6.96 -33.58 3 3 1 46 253.41 2 ↓
Hi High (pH 8-9.5) 2.58 5.68 -6.32 2 3 0 41 252.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-6-methyl-piperidine-2-carboxamide (2S,6S)-N-[(1S,2R,4S)-2,4-dimeth…

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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) 2.58 6.17 -33.47 3 3 1 46 253.41 2 ↓
Hi High (pH 8-9.5) 2.58 4.88 -6.8 2 3 0 41 252.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-6-methyl-piperidine-2-carboxamide (2S,6S)-N-[(1R,2R,4R)-2,4-dimeth…

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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) 2.58 6.58 -33.69 3 3 1 46 253.41 2 ↓
Hi High (pH 8-9.5) 2.58 5.3 -6.94 2 3 0 41 252.402 2 ↓

Analogs

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Popular Name: (2S,6S)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-6-methyl-piperidine-2-carboxamide (2S,6S)-N-[(1R,2R,4S)-2,4-dimeth…

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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) 2.58 6.34 -33.82 3 3 1 46 253.41 2 ↓
Hi High (pH 8-9.5) 2.58 5.07 -6.91 2 3 0 41 252.402 2 ↓

Analogs

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Popular Name: (2S,3R)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-3-methyl-piperidine-2-carboxamide (2S,3R)-N-[(1S,2R,4R)-2,4-dimeth…

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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) 2.49 6.36 -40.27 3 3 1 46 253.41 2 ↓
Hi High (pH 8-9.5) 2.49 5.47 -5.87 2 3 0 41 252.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-3-methyl-piperidine-2-carboxamide (2S,3R)-N-[(1S,2R,4S)-2,4-dimeth…

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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) 2.49 5.57 -40.19 3 3 1 46 253.41 2 ↓
Hi High (pH 8-9.5) 2.49 4.95 -6.4 2 3 0 41 252.402 2 ↓

Analogs

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Popular Name: (2S,3R)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3-methyl-piperidine-2-carboxamide (2S,3R)-N-[(1R,2R,4R)-2,4-dimeth…

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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) 2.49 5.98 -40.36 3 3 1 46 253.41 2 ↓
Hi High (pH 8-9.5) 2.49 5.36 -6.41 2 3 0 41 252.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-3-methyl-piperidine-2-carboxamide (2S,3R)-N-[(1R,2R,4S)-2,4-dimeth…

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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) 2.49 5.74 -40.51 3 3 1 46 253.41 2 ↓
Hi High (pH 8-9.5) 2.49 5.12 -6.41 2 3 0 41 252.402 2 ↓

Analogs

42581825
42581825
42581828
42581828

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Popular Name: (2S)-N-(4-propylcyclohexyl)piperidine-2-carboxamide (2S)-N-(4-propylcyclohexyl)piper…

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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) 3.02 6.42 -35.34 3 3 1 46 253.41 4 ↓

Analogs

42581825
42581825
42581828
42581828

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Popular Name: (2R)-N-(4-propylcyclohexyl)piperidine-2-carboxamide (2R)-N-(4-propylcyclohexyl)piper…

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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) 3.02 6.82 -35.43 3 3 1 46 253.41 4 ↓

Analogs

42582534
42582534
42582537
42582537
42582540
42582540

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Popular Name: (2S,6S)-6-methyl-N-(4-propylcyclohexyl)piperidine-2-carboxamide (2S,6S)-6-methyl-N-(4-propylcycl…

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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) 3.35 7.53 -33.75 3 3 1 46 267.437 4 ↓

Analogs

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Popular Name: (2R,6S)-6-methyl-N-(4-propylcyclohexyl)piperidine-2-carboxamide (2R,6S)-6-methyl-N-(4-propylcycl…

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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) 3.35 7.24 -36.3 3 3 1 46 267.437 4 ↓

Analogs

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Popular Name: (2S,6R)-6-methyl-N-(4-propylcyclohexyl)piperidine-2-carboxamide (2S,6R)-6-methyl-N-(4-propylcycl…

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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) 3.35 7.24 -36.31 3 3 1 46 267.437 4 ↓

Analogs

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Popular Name: (2R,6R)-6-methyl-N-(4-propylcyclohexyl)piperidine-2-carboxamide (2R,6R)-6-methyl-N-(4-propylcycl…

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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) 3.35 7.53 -33.67 3 3 1 46 267.437 4 ↓

Parameters Provided:

ring.id = 48972
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 = 48972 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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