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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: 3-[2-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-6-ox 3-[2-[(1R)-2-[[(3R)-1,1-dioxothi…

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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) 0.48 3.48 -67.29 1 9 -1 140 416.501 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1S)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-6-ox 3-[2-[(1S)-2-[[(3R)-1,1-dioxothi…

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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) 0.48 3.38 -68.73 1 9 -1 140 416.501 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1R)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-6-ox 3-[2-[(1R)-2-[[(3S)-1,1-dioxothi…

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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) 0.48 3.45 -68.48 1 9 -1 140 416.501 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1S)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-6-ox 3-[2-[(1S)-2-[[(3S)-1,1-dioxothi…

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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) 0.48 3.38 -67.13 1 9 -1 140 416.501 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-6-oxo 3-[2-[(1R)-2-[[(3R)-1,1-dioxothi…

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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) 0.86 4.38 -67.77 1 9 -1 140 430.528 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1R)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-6-oxo 3-[2-[(1R)-2-[[(3S)-1,1-dioxothi…

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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) 0.86 4.43 -69.24 1 9 -1 140 430.528 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1S)-2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-6-oxo 3-[2-[(1S)-2-[[(3R)-1,1-dioxothi…

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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) 0.86 4.35 -67.1 1 9 -1 140 430.528 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1S)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-6-oxo 3-[2-[(1S)-2-[[(3S)-1,1-dioxothi…

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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) 0.86 4.3 -69.08 1 9 -1 140 430.528 8 ↓

Analogs

14230090
14230090
14230093
14230093
15805423
15805423
15805424
15805424
15805425
15805425

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-propanamid (2S)-N-[(3R)-1,1-dioxothiolan-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) 2.06 4.67 -21.27 1 7 0 100 387.527 7 ↓
Mid Mid (pH 6-8) 2.52 2.99 -53.66 0 7 -1 103 386.519 7 ↓

Analogs

14230093
14230093
15805423
15805423
15805424
15805424
15805425
15805425
15805426
15805426

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-propanamid (2R)-N-[(3R)-1,1-dioxothiolan-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) 2.06 4.73 -21.48 1 7 0 100 387.527 7 ↓
Mid Mid (pH 6-8) 2.52 3.05 -54.38 0 7 -1 103 386.519 7 ↓

Analogs

15805423
15805423
15805424
15805424
15805425
15805425
15805426
15805426
14230086
14230086

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-propanamid (2S)-N-[(3S)-1,1-dioxothiolan-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) 2.06 4.67 -22.86 1 7 0 100 387.527 7 ↓
Mid Mid (pH 6-8) 2.52 3 -56.28 0 7 -1 103 386.519 7 ↓

Analogs

15805423
15805423
15805424
15805424
15805425
15805425
15805426
15805426

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-propanamid (2R)-N-[(3S)-1,1-dioxothiolan-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) 2.06 4.72 -22.88 1 7 0 100 387.527 7 ↓

Parameters Provided:

ring.id = 136108
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 = 136108 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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