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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: N-(1-cyanocyclohexyl)-N-methyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino] N-(1-cyanocyclohexyl)-N-methyl-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) 0.76 7.03 -63.35 2 7 1 91 317.417 4 ↓
Mid Mid (pH 6-8) 0.76 5.88 -18.95 1 7 0 87 316.409 4 ↓

Analogs

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Popular Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino] N-(1-cyanocyclohexyl)-N-methyl-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) 0.76 7.02 -62.44 2 7 1 91 317.417 4 ↓
Mid Mid (pH 6-8) 0.76 5.86 -18.44 1 7 0 87 316.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.72 6.54 -57.53 3 6 1 76 346.377 5 ↓
Mid Mid (pH 6-8) 1.72 5.39 -13.04 2 6 0 72 345.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.72 6.54 -57.48 3 6 1 76 346.377 5 ↓
Mid Mid (pH 6-8) 1.72 5.41 -12.67 2 6 0 72 345.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.72 6.95 -58.69 3 6 1 76 346.377 5 ↓
Mid Mid (pH 6-8) 1.72 5.8 -13.16 2 6 0 72 345.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.72 6.95 -58.91 3 6 1 76 346.377 5 ↓
Mid Mid (pH 6-8) 1.72 5.82 -12.9 2 6 0 72 345.369 5 ↓

Parameters Provided:

ring.id = 485380
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 = 485380 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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