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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: (6R)-N-[(4,5-dimethyloxazol-2-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6- (6R)-N-[(4,5-dimethyloxazol-2-yl…

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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) 0.68 3.98 -54.49 2 6 1 73 276.364 4 ↓
Hi High (pH 8-9.5) 0.68 2.8 -13 1 6 0 69 275.356 4 ↓

Analogs

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

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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) 0.68 3.98 -53.89 2 6 1 73 276.364 4 ↓
Hi High (pH 8-9.5) 0.68 2.82 -11.91 1 6 0 69 275.356 4 ↓

Analogs

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Popular Name: (6R)-N-[(5-tert-butyloxazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-[(5-tert-butyloxazol-2-yl…

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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) 1.52 4.87 -53.83 2 6 1 73 276.364 4 ↓
Hi High (pH 8-9.5) 1.52 3.71 -10.14 1 6 0 69 275.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(5-tert-butyloxazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-[(5-tert-butyloxazol-2-yl…

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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) 1.52 4.86 -53.3 2 6 1 73 276.364 4 ↓
Hi High (pH 8-9.5) 1.52 3.68 -10.24 1 6 0 69 275.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(4,5-dimethyloxazol-2-yl)methyl]-2-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridi (6R)-N-[(4,5-dimethyloxazol-2-yl…

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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) 1.16 4.44 -53.99 2 6 1 73 290.391 4 ↓
Hi High (pH 8-9.5) 1.16 3.28 -11.66 1 6 0 69 289.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(4,5-dimethyloxazol-2-yl)methyl]-2-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridi (6S)-N-[(4,5-dimethyloxazol-2-yl…

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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) 1.16 4.44 -53.49 2 6 1 73 290.391 4 ↓
Hi High (pH 8-9.5) 1.16 3.26 -11.79 1 6 0 69 289.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.10 3.37 -54.7 2 6 1 73 262.337 3 ↓
Hi High (pH 8-9.5) 0.10 2.21 -11.98 1 6 0 69 261.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.10 3.37 -54.17 2 6 1 73 262.337 3 ↓
Hi High (pH 8-9.5) 0.10 2.19 -12.1 1 6 0 69 261.329 3 ↓

Parameters Provided:

ring.id = 477636
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 = 477636 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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