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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: 1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]piperidine-4-carboxylic 1-[[(3S)-1,1-dioxothian-3-yl]car…

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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) 0.35 2.74 -62.21 1 7 -1 107 303.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]piperidine-4-carboxylic 1-[[(3R)-1,1-dioxothian-3-yl]car…

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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) 0.35 2.73 -61.12 1 7 -1 107 303.36 2 ↓

Analogs

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Popular Name: (2S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]piperidine-2-carboxylic (2S)-1-[[(3R)-1,1-dioxothian-3-y…

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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) -0.98 3.73 -74.96 1 7 -1 107 303.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]piperidine-2-carboxylic (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) -0.98 3.54 -73.15 1 7 -1 107 303.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]piperidine-2-carboxylic (2S)-1-[[(3S)-1,1-dioxothian-3-y…

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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) -0.98 3.74 -74.13 1 7 -1 107 303.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]piperidine-2-carboxylic (2R)-1-[[(3S)-1,1-dioxothian-3-y…

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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) -0.98 3.54 -74 1 7 -1 107 303.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-3-piperidyl]acetic 2-[(3R)-1-[[(3R)-1,1-dioxothian-…

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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) 0.62 3.31 -69.05 1 7 -1 107 317.387 3 ↓
Lo Low (pH 4.5-6) 0.62 1.32 -25.7 2 7 0 104 318.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-3-piperidyl]acetic 2-[(3S)-1-[[(3R)-1,1-dioxothian-…

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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) 0.62 3.32 -68.11 1 7 -1 107 317.387 3 ↓
Lo Low (pH 4.5-6) 0.62 1.32 -25.34 2 7 0 104 318.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-3-piperidyl]acetic 2-[(3R)-1-[[(3S)-1,1-dioxothian-…

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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) 0.62 3.32 -67.82 1 7 -1 107 317.387 3 ↓
Lo Low (pH 4.5-6) 0.62 1.32 -25.46 2 7 0 104 318.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-3-piperidyl]acetic 2-[(3S)-1-[[(3S)-1,1-dioxothian-…

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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) 0.62 3.32 -69.44 1 7 -1 107 317.387 3 ↓
Lo Low (pH 4.5-6) 0.62 1.33 -26.2 2 7 0 104 318.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]piperidine-3-carboxylic (3S)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 0.35 2.7 -51.02 1 7 -1 107 303.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]piperidine-3-carboxylic (3R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 0.35 2.64 -62.63 1 7 -1 107 303.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]piperidine-3-carboxylic (3S)-1-[[(3S)-1,1-dioxothian-3-y…

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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) 0.35 2.7 -62.89 1 7 -1 107 303.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]piperidine-3-carboxylic (3R)-1-[[(3S)-1,1-dioxothian-3-y…

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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) 0.35 2.64 -50.07 1 7 -1 107 303.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 0.60 3.41 -63.59 1 7 -1 107 317.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 0.60 3.42 -63.21 1 7 -1 107 317.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(3S)-1,1-dioxothian-3-y…

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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) 0.60 3.41 -63.4 1 7 -1 107 317.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(3S)-1,1-dioxothian-3-y…

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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) 0.60 3.42 -63.48 1 7 -1 107 317.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-2-piperidyl]acetic 2-[(2S)-1-[[(3R)-1,1-dioxothian-…

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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) 0.75 4.15 -70.37 1 7 -1 107 317.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-2-piperidyl]acetic 2-[(2R)-1-[[(3R)-1,1-dioxothian-…

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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) 0.75 4.1 -73.67 1 7 -1 107 317.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-2-piperidyl]acetic 2-[(2S)-1-[[(3S)-1,1-dioxothian-…

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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) 0.75 4.16 -74.22 1 7 -1 107 317.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-2-piperidyl]acetic 2-[(2R)-1-[[(3S)-1,1-dioxothian-…

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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) 0.75 4.11 -69.45 1 7 -1 107 317.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(3R)-1,1-dioxothian-3-yl]car…

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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) 0.60 2.96 -58.26 1 7 -1 107 317.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(3S)-1,1-dioxothian-3-yl]car…

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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) 0.60 2.96 -57.89 1 7 -1 107 317.387 2 ↓

Parameters Provided:

ring.id = 290412
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 = 290412 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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