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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2S)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-am (2S)-N-[[(2S)-tetrahydrofuran-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) 1.86 8.09 -47.73 2 5 1 56 293.416 6 ↓
Hi High (pH 8-9.5) 1.86 6.67 -14.29 1 5 0 51 292.408 6 ↓

Analogs

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Popular Name: (2R)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-am (2R)-N-[[(2S)-tetrahydrofuran-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) 1.86 8.1 -47.54 2 5 1 56 293.416 6 ↓
Hi High (pH 8-9.5) 1.86 6.79 -13.42 1 5 0 51 292.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-am (2S)-N-[[(2R)-tetrahydrofuran-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) 1.86 8.11 -47.62 2 5 1 56 293.416 6 ↓
Hi High (pH 8-9.5) 1.86 6.75 -13.22 1 5 0 51 292.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-am (2R)-N-[[(2R)-tetrahydrofuran-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) 1.86 8.1 -47.8 2 5 1 56 293.416 6 ↓
Hi High (pH 8-9.5) 1.86 6.89 -13.12 1 5 0 51 292.408 6 ↓

Analogs

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Popular Name: (1S)-1-[(2S)-tetrahydrofuran-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]ethanamine (1S)-1-[(2S)-tetrahydrofuran-2-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) 2.17 8.05 -46.19 2 5 1 56 293.416 6 ↓
Hi High (pH 8-9.5) 2.17 6.79 -13.7 1 5 0 51 292.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(2S)-tetrahydrofuran-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]ethanamine (1R)-1-[(2S)-tetrahydrofuran-2-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) 2.17 7.76 -45.93 2 5 1 56 293.416 6 ↓
Hi High (pH 8-9.5) 2.17 6.57 -13.7 1 5 0 51 292.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(2R)-tetrahydrofuran-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]ethanamine (1S)-1-[(2R)-tetrahydrofuran-2-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) 2.17 7.79 -46.2 2 5 1 56 293.416 6 ↓
Hi High (pH 8-9.5) 2.17 6.55 -14.21 1 5 0 51 292.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(2R)-tetrahydrofuran-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]ethanamine (1R)-1-[(2R)-tetrahydrofuran-2-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) 2.17 8.02 -46.02 2 5 1 56 293.416 6 ↓
Hi High (pH 8-9.5) 2.17 7.13 -12.77 1 5 0 51 292.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine N-[[(2S)-tetrahydrofuran-2-yl]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) 1.49 7.32 -47.68 2 5 1 56 279.389 6 ↓
Hi High (pH 8-9.5) 1.49 5.9 -14.51 1 5 0 51 278.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine N-[[(2R)-tetrahydrofuran-2-yl]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) 1.49 7.33 -47.77 2 5 1 56 279.389 6 ↓
Hi High (pH 8-9.5) 1.49 5.99 -13.63 1 5 0 51 278.381 6 ↓

Parameters Provided:

ring.id = 214289
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 = 214289 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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