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Analogs

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Popular Name: (2S)-2-methylsulfanyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (2S)-2-methylsulfanyl-N-[3-(5,6,…

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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) 2.40 9.49 -38.18 2 4 1 48 316.45 4 ↓
Mid Mid (pH 6-8) 2.40 9.08 -21.55 1 4 0 47 315.442 4 ↓

Analogs

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Popular Name: (2R)-2-methylsulfanyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (2R)-2-methylsulfanyl-N-[3-(5,6,…

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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) 2.40 9.48 -37.58 2 4 1 48 316.45 4 ↓
Mid Mid (pH 6-8) 2.40 9.06 -21.69 1 4 0 47 315.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (2S)-2-methylsulfonyl-N-[3-(5,6,…

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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 6.27 -51.67 2 6 1 82 348.448 4 ↓
Mid Mid (pH 6-8) 1.27 5.87 -36.35 1 6 0 81 347.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (2R)-2-methylsulfonyl-N-[3-(5,6,…

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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 6.5 -50.01 2 6 1 82 348.448 4 ↓
Mid Mid (pH 6-8) 1.27 6.07 -36.27 1 6 0 81 347.44 4 ↓

Analogs

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Popular Name: 4-methoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide 4-methoxy-N-[3-(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) 2.03 8.31 -38.24 2 5 1 57 314.409 6 ↓
Mid Mid (pH 6-8) 2.03 7.9 -21.7 1 5 0 56 313.401 6 ↓

Analogs

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Popular Name: 2,2-dimethyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide 2,2-dimethyl-N-[3-(5,6,7,8-tetra…

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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) 3.21 9.69 -35.24 2 4 1 48 298.41 3 ↓
Mid Mid (pH 6-8) 3.21 9.29 -18.82 1 4 0 47 297.402 3 ↓

Parameters Provided:

ring.id = 5446
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 = 5446 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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