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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)-2-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-2-(4-fluoro (2S)-2-[[(6S)-3-ethyl-5,6,7,8-te…

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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) 1.17 6.45 -65.87 4 6 1 90 332.403 6 ↓
Mid Mid (pH 6-8) 1.17 5.59 -18.29 3 6 0 86 331.395 6 ↓

Analogs

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Popular Name: (2S)-2-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-2-(4-fluoro (2S)-2-[[(6R)-3-ethyl-5,6,7,8-te…

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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) 1.17 6.49 -65.54 4 6 1 90 332.403 6 ↓
Mid Mid (pH 6-8) 1.17 5.43 -18.77 3 6 0 86 331.395 6 ↓

Analogs

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Popular Name: (2R)-2-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-2-(4-fluoro (2R)-2-[[(6S)-3-ethyl-5,6,7,8-te…

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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) 1.17 6.47 -65.55 4 6 1 90 332.403 6 ↓
Mid Mid (pH 6-8) 1.17 5.55 -17.38 3 6 0 86 331.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-2-(4-fluoro (2R)-2-[[(6R)-3-ethyl-5,6,7,8-te…

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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) 1.17 6.5 -65.77 4 6 1 90 332.403 6 ↓
Mid Mid (pH 6-8) 1.17 5.39 -17.42 3 6 0 86 331.395 6 ↓

Analogs

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Popular Name: N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1-(o-tolyl)methanami N-[[(6S)-3-methyl-5,6,7,8-tetrah…

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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) 1.92 9.62 -63.03 2 4 1 47 271.388 4 ↓
Hi High (pH 8-9.5) 1.92 8.25 -12.6 1 4 0 43 270.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1-(o-tolyl)methanami N-[[(6R)-3-methyl-5,6,7,8-tetrah…

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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) 1.92 9.6 -63.22 2 4 1 47 271.388 4 ↓
Hi High (pH 8-9.5) 1.92 8.44 -12.18 1 4 0 43 270.38 4 ↓

Analogs

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Popular Name: (2S)-2-(4-fluorophenyl)-2-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]meth (2S)-2-(4-fluorophenyl)-2-[[(6S)…

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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 5.84 -65.94 4 6 1 90 318.376 5 ↓
Mid Mid (pH 6-8) 0.60 4.98 -18.61 3 6 0 86 317.368 5 ↓

Analogs

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Popular Name: (2S)-2-(4-fluorophenyl)-2-[[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]meth (2S)-2-(4-fluorophenyl)-2-[[(6R)…

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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 5.88 -65.66 4 6 1 90 318.376 5 ↓
Mid Mid (pH 6-8) 0.60 4.81 -19.17 3 6 0 86 317.368 5 ↓

Analogs

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Popular Name: (2R)-2-(4-fluorophenyl)-2-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]meth (2R)-2-(4-fluorophenyl)-2-[[(6S)…

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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 5.86 -65.61 4 6 1 90 318.376 5 ↓
Mid Mid (pH 6-8) 0.60 4.94 -17.68 3 6 0 86 317.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-fluorophenyl)-2-[[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]meth (2R)-2-(4-fluorophenyl)-2-[[(6R)…

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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 5.88 -65.84 4 6 1 90 318.376 5 ↓
Mid Mid (pH 6-8) 0.60 4.77 -17.83 3 6 0 86 317.368 5 ↓

Analogs

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Popular Name: 3-fluoro-4-[[[(6S)-3-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]met 3-fluoro-4-[[[(6S)-3-isopropyl-5…

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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) 2.42 10.44 -73.35 2 5 1 71 328.415 5 ↓
Mid Mid (pH 6-8) 2.42 9.29 -16.2 1 5 0 67 327.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[[[(6R)-3-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]met 3-fluoro-4-[[[(6R)-3-isopropyl-5…

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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) 2.42 10.45 -73.6 2 5 1 71 328.415 5 ↓
Mid Mid (pH 6-8) 2.42 9.07 -16.72 1 5 0 67 327.407 5 ↓

Parameters Provided:

ring.id = 383704
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 = 383704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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