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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 1.90 12.39 -38.81 1 7 1 57 384.57 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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 13.05 -40.82 1 7 1 57 398.597 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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 13.3 -41.33 1 7 1 57 396.581 7 ↓

Analogs

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Popular Name: N-[1-[(4-ethyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]-N-methyl-ethanesulfonamide N-[1-[(4-ethyl-3-methyl-5-thioxo…

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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) 0.16 8.42 -51.31 1 7 1 65 362.545 6 ↓
Mid Mid (pH 6-8) 0.16 6.2 -21.82 0 7 0 63 361.537 6 ↓

Analogs

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Popular Name: N-[1-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]-N-methyl-ethanesulfonamide N-[1-[(4-allyl-3-methyl-5-thioxo…

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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) 0.43 8.97 -47.8 1 7 1 65 374.556 7 ↓
Mid Mid (pH 6-8) 0.43 6.73 -18.89 0 7 0 63 373.548 7 ↓

Analogs

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Popular Name: N-[1-[(4-tert-butyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]-N-ethyl-methanesulfonamide N-[1-[(4-tert-butyl-5-thioxo-1,2…

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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) 0.89 9.22 -50.14 1 7 1 65 376.572 6 ↓
Mid Mid (pH 6-8) 0.89 6.82 -18.44 0 7 0 63 375.564 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[1-[(3-isopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]methanesulfonami N-ethyl-N-[1-[(3-isopropyl-4-met…

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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) 0.85 8.56 -48.6 1 7 1 65 376.572 6 ↓
Mid Mid (pH 6-8) 0.85 6.35 -17.66 0 7 0 63 375.564 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 2.77 15.14 -40.99 1 7 1 57 424.635 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 2.77 14.96 -43.37 1 7 1 57 424.635 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]methyl]acetamide N-[[1-[(4-methyl-5-thioxo-1,2,4-…

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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) -0.55 8.22 -49.6 2 6 1 56 284.409 4 ↓
Hi High (pH 8-9.5) -0.55 5.97 -20.34 1 6 0 55 283.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.96 8.22 -46.47 2 7 1 66 300.408 5 ↓

Analogs

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Popular Name: 2-(1-piperidylmethyl)-5-propyl-4H-1,2,4-triazole-3-thione 2-(1-piperidylmethyl)-5-propyl-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) 1.53 8.99 -35.97 2 4 1 38 241.384 4 ↓
Hi High (pH 8-9.5) 1.53 6.78 -10.29 1 4 0 37 240.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-methyl-1-piperidyl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(3S)-3-methyl-1-piperidyl]me…

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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) 1.78 9.58 -35.87 2 4 1 38 255.411 4 ↓
Hi High (pH 8-9.5) 1.78 7.35 -9.99 1 4 0 37 254.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-methyl-1-piperidyl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(3R)-3-methyl-1-piperidyl]me…

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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) 1.78 9.9 -36.28 2 4 1 38 255.411 4 ↓
Hi High (pH 8-9.5) 1.78 7.49 -10.41 1 4 0 37 254.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-propyl-5-thioxo-4H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide 1-[(3-propyl-5-thioxo-4H-1,2,4-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) 0.13 5.98 -48.18 4 6 1 81 284.409 5 ↓
Hi High (pH 8-9.5) 0.13 3.57 -17.6 3 6 0 80 283.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methyl-1-piperidyl)methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[(4-methyl-1-piperidyl)methyl]…

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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) 1.78 9.92 -37 2 4 1 38 255.411 4 ↓
Hi High (pH 8-9.5) 1.78 7.51 -10.39 1 4 0 37 254.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methoxy-1-piperidyl)methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[(4-methoxy-1-piperidyl)methyl…

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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) 0.27 8.31 -39.85 2 5 1 47 271.41 5 ↓
Hi High (pH 8-9.5) 0.27 5.92 -12.05 1 5 0 46 270.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-ethyl-1-piperidyl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(3S)-3-ethyl-1-piperidyl]met…

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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) 2.28 10.24 -36.43 2 4 1 38 269.438 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-ethyl-1-piperidyl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(3R)-3-ethyl-1-piperidyl]met…

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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) 2.28 10.55 -36.85 2 4 1 38 269.438 5 ↓

Analogs

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Popular Name: 2-[1-[(3-propyl-5-thioxo-4H-1,2,4-triazol-1-yl)methyl]-4-piperidyl]acetamide 2-[1-[(3-propyl-5-thioxo-4H-1,2,…

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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) 0.58 6.69 -41.16 4 6 1 81 298.436 6 ↓
Hi High (pH 8-9.5) 0.58 4.29 -16.19 3 6 0 80 297.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethyl-1-piperidyl)methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[(4-ethyl-1-piperidyl)methyl]-…

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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) 2.46 10.58 -37.42 2 4 1 38 269.438 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethoxy-1-piperidyl)methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[(4-ethoxy-1-piperidyl)methyl]…

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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) 0.64 8.96 -38.92 2 5 1 47 285.437 6 ↓
Hi High (pH 8-9.5) 0.64 6.75 -11.28 1 5 0 46 284.429 6 ↓

Analogs

42095404
42095404

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Popular Name: 3-[1-[[(3R)-3-ethyl-1-piperidyl]methyl]-4-isobutyl-5-thioxo-1,2,4-triazol-3-yl]propanamide 3-[1-[[(3R)-3-ethyl-1-piperidyl]…

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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) 1.59 9.61 -41.66 3 6 1 70 354.544 8 ↓

Analogs

42095402
42095402

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Popular Name: 3-[1-[[(3S)-3-ethyl-1-piperidyl]methyl]-4-isobutyl-5-thioxo-1,2,4-triazol-3-yl]propanamide 3-[1-[[(3S)-3-ethyl-1-piperidyl]…

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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) 1.59 9.9 -42.38 3 6 1 70 354.544 8 ↓

Analogs

42095407
42095407

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Popular Name: 3-[1-[[(3R)-3-ethyl-1-piperidyl]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide 3-[1-[[(3R)-3-ethyl-1-piperidyl]…

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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) 0.47 7.87 -42.77 3 6 1 70 312.463 6 ↓

Analogs

42095405
42095405

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Popular Name: 3-[1-[[(3S)-3-ethyl-1-piperidyl]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide 3-[1-[[(3S)-3-ethyl-1-piperidyl]…

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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) 0.47 8.17 -43.48 3 6 1 70 312.463 6 ↓

Parameters Provided:

ring.id = 164287
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 = 164287 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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