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Analogs

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Popular Name: N-(3-isopropylisoxazol-5-yl)-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ac N-(3-isopropylisoxazol-5-yl)-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) 0.71 5.37 -67.03 3 8 1 102 305.362 5 ↓
Mid Mid (pH 6-8) 0.71 4.25 -20.42 2 8 0 98 304.354 5 ↓

Analogs

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Popular Name: N-(3-isopropylisoxazol-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ac N-(3-isopropylisoxazol-5-yl)-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) 0.71 5.37 -67.03 3 8 1 102 305.362 5 ↓
Mid Mid (pH 6-8) 0.71 4.23 -20.72 2 8 0 98 304.354 5 ↓

Analogs

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Popular Name: N-(3-tert-butylisoxazol-5-yl)-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]a N-(3-tert-butylisoxazol-5-yl)-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) 1.37 5.97 -66.95 3 8 1 102 319.389 5 ↓
Mid Mid (pH 6-8) 1.37 4.84 -20.48 2 8 0 98 318.381 5 ↓

Analogs

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Popular Name: N-(3-tert-butylisoxazol-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]a N-(3-tert-butylisoxazol-5-yl)-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) 1.37 5.97 -66.93 3 8 1 102 319.389 5 ↓
Mid Mid (pH 6-8) 1.37 4.82 -20.74 2 8 0 98 318.381 5 ↓

Analogs

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Popular Name: (2S)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-(3-methylisoxaz (2S)-2-[[(6R)-2-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) 0.27 5.15 -61.52 3 8 1 102 319.389 5 ↓
Mid Mid (pH 6-8) 0.27 4.19 -22.13 2 8 0 98 318.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-(3-methylisoxaz (2S)-2-[[(6S)-2-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) 0.27 5.18 -64.23 3 8 1 102 319.389 5 ↓
Mid Mid (pH 6-8) 0.27 4.17 -22.14 2 8 0 98 318.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-(3-methylisoxaz (2R)-2-[[(6R)-2-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) 0.27 5.18 -64.32 3 8 1 102 319.389 5 ↓
Mid Mid (pH 6-8) 0.27 4.1 -21.23 2 8 0 98 318.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-(3-methylisoxaz (2R)-2-[[(6S)-2-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) 0.27 5.15 -61.46 3 8 1 102 319.389 5 ↓
Mid Mid (pH 6-8) 0.27 4.11 -20.08 2 8 0 98 318.381 5 ↓

Parameters Provided:

ring.id = 431682
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 = 431682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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