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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-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[(2S)-tetrahydropyran-2-yl 1-[(6S)-3-ethyl-5,6,7,8-tetrahyd…

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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) 1.22 7.75 -59.32 2 5 1 57 279.408 5 ↓
Hi High (pH 8-9.5) 1.22 6.54 -11.56 1 5 0 52 278.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.22 7.77 -59.46 2 5 1 57 279.408 5 ↓
Hi High (pH 8-9.5) 1.22 6.35 -12.04 1 5 0 52 278.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.22 7.79 -59.16 2 5 1 57 279.408 5 ↓
Hi High (pH 8-9.5) 1.22 6.64 -10.77 1 5 0 52 278.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.22 7.8 -58.97 2 5 1 57 279.408 5 ↓
Hi High (pH 8-9.5) 1.22 6.45 -11.02 1 5 0 52 278.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.70 8.19 -58.96 2 5 1 57 293.435 5 ↓
Hi High (pH 8-9.5) 1.70 6.98 -11.26 1 5 0 52 292.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(6R)-3-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[(2S)-tetrahydropyran- 1-[(6R)-3-isopropyl-5,6,7,8-tetr…

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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) 1.70 8.19 -59.17 2 5 1 57 293.435 5 ↓
Hi High (pH 8-9.5) 1.70 6.77 -11.8 1 5 0 52 292.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(6S)-3-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[(2R)-tetrahydropyran- 1-[(6S)-3-isopropyl-5,6,7,8-tetr…

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Activity (Go SEA)

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) 1.70 8.23 -58.88 2 5 1 57 293.435 5 ↓
Hi High (pH 8-9.5) 1.70 7.08 -10.48 1 5 0 52 292.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 1.70 8.22 -58.73 2 5 1 57 293.435 5 ↓
Hi High (pH 8-9.5) 1.70 6.87 -10.7 1 5 0 52 292.427 5 ↓

Parameters Provided:

ring.id = 453374
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 = 453374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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