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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: (2S)-N-allyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-(2-thienylmethy (2S)-N-allyl-2-[[(6R)-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) 1.27 8.83 -50.09 2 6 1 68 346.48 7 ↓
Mid Mid (pH 6-8) 1.27 7.8 -12.19 1 6 0 63 345.472 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-allyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-(2-thienylmethy (2R)-N-allyl-2-[[(6R)-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) 1.27 8.96 -53.25 2 6 1 68 346.48 7 ↓
Mid Mid (pH 6-8) 1.27 7.84 -12.98 1 6 0 63 345.472 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-allyl-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-(2-thienylmethy (2S)-N-allyl-2-[[(6S)-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) 1.27 8.84 -52.56 2 6 1 68 346.48 7 ↓
Mid Mid (pH 6-8) 1.27 7.7 -11.63 1 6 0 63 345.472 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-allyl-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-(2-thienylmethy (2R)-N-allyl-2-[[(6S)-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) 1.27 8.95 -50.31 2 6 1 68 346.48 7 ↓
Mid Mid (pH 6-8) 1.27 7.96 -13.53 1 6 0 63 345.472 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-(2-thienylmethyl)ac N-methyl-2-[[(6R)-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) 0.30 7.13 -54.91 2 6 1 68 306.415 5 ↓
Mid Mid (pH 6-8) 0.30 6.01 -12.83 1 6 0 63 305.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-(2-thienylmethyl)ac N-methyl-2-[[(6S)-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) 0.30 7.14 -55.26 2 6 1 68 306.415 5 ↓
Mid Mid (pH 6-8) 0.30 5.99 -13.38 1 6 0 63 305.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.38 7.03 -55.77 2 6 1 68 320.442 5 ↓
Mid Mid (pH 6-8) 0.38 5.87 -15.19 1 6 0 63 319.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.38 7.02 -55.45 2 6 1 68 320.442 5 ↓
Mid Mid (pH 6-8) 0.38 5.9 -14.58 1 6 0 63 319.434 5 ↓

Parameters Provided:

ring.id = 375969
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 = 375969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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