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Popular Name: (2S,4R)-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-ol (2S,4R)-2-(1-methylpyrazol-4-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) 0.01 0.68 -9.38 1 4 0 47 182.223 1 ↓

Analogs

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Popular Name: (2R,4R)-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-ol (2R,4R)-2-(1-methylpyrazol-4-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) 0.01 0.8 -7.96 1 4 0 47 182.223 1 ↓

Analogs

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Popular Name: (2S,4S)-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-ol (2S,4S)-2-(1-methylpyrazol-4-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) 0.01 0.8 -7.99 1 4 0 47 182.223 1 ↓

Analogs

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Popular Name: (2R,4S)-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-ol (2R,4S)-2-(1-methylpyrazol-4-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) 0.01 0.67 -9.36 1 4 0 47 182.223 1 ↓

Analogs

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Popular Name: (2S,4R)-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2S,4R)-2-(1-methylpyrazol-4-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) -0.48 1.26 -49.38 3 4 1 55 182.247 1 ↓

Analogs

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Popular Name: (2R,4R)-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2R,4R)-2-(1-methylpyrazol-4-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) -0.48 1.43 -51.39 3 4 1 55 182.247 1 ↓

Analogs

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Popular Name: (2S,4S)-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2S,4S)-2-(1-methylpyrazol-4-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) -0.48 1.43 -51.65 3 4 1 55 182.247 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2R,4S)-2-(1-methylpyrazol-4-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) -0.48 1.25 -49.07 3 4 1 55 182.247 1 ↓

Analogs

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Popular Name: (2S,4R)-N-methyl-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2S,4R)-N-methyl-2-(1-methylpyra…

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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) 0.43 2.97 -44.21 2 4 1 44 196.274 2 ↓

Analogs

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Popular Name: (2S,4S)-N-methyl-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2S,4S)-N-methyl-2-(1-methylpyra…

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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) 0.43 3.14 -46.09 2 4 1 44 196.274 2 ↓

Analogs

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Popular Name: (2R,4R)-N-methyl-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2R,4R)-N-methyl-2-(1-methylpyra…

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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) 0.43 3.15 -45.83 2 4 1 44 196.274 2 ↓

Analogs

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Popular Name: (2R,4S)-N-methyl-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2R,4S)-N-methyl-2-(1-methylpyra…

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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) 0.43 2.97 -43.89 2 4 1 44 196.274 2 ↓

Analogs

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Popular Name: (2S,4R)-N-ethyl-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2S,4R)-N-ethyl-2-(1-methylpyraz…

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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) 0.81 3.81 -43.11 2 4 1 44 210.301 3 ↓

Analogs

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Popular Name: (2S,4S)-N-ethyl-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2S,4S)-N-ethyl-2-(1-methylpyraz…

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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) 0.81 3.99 -44.64 2 4 1 44 210.301 3 ↓

Analogs

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Popular Name: (2R,4R)-N-ethyl-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2R,4R)-N-ethyl-2-(1-methylpyraz…

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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) 0.81 3.99 -44.38 2 4 1 44 210.301 3 ↓

Analogs

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Popular Name: (2R,4S)-N-ethyl-2-(1-methylpyrazol-4-yl)tetrahydropyran-4-amine (2R,4S)-N-ethyl-2-(1-methylpyraz…

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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) 0.81 3.81 -42.8 2 4 1 44 210.301 3 ↓

Analogs

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Popular Name: (2S,4R)-2-(1-methylpyrazol-4-yl)-N-propyl-tetrahydropyran-4-amine (2S,4R)-2-(1-methylpyrazol-4-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) 1.31 4.58 -43.91 2 4 1 44 224.328 4 ↓

Analogs

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Popular Name: (2S,4S)-2-(1-methylpyrazol-4-yl)-N-propyl-tetrahydropyran-4-amine (2S,4S)-2-(1-methylpyrazol-4-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) 1.31 4.75 -45.5 2 4 1 44 224.328 4 ↓

Analogs

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Popular Name: (2R,4R)-2-(1-methylpyrazol-4-yl)-N-propyl-tetrahydropyran-4-amine (2R,4R)-2-(1-methylpyrazol-4-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) 1.31 4.76 -45.19 2 4 1 44 224.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-(1-methylpyrazol-4-yl)-N-propyl-tetrahydropyran-4-amine (2R,4S)-2-(1-methylpyrazol-4-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) 1.31 4.57 -43.62 2 4 1 44 224.328 4 ↓

Analogs

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Popular Name: 4-[(2S,4R)-4-chlorotetrahydropyran-2-yl]-1-methyl-pyrazole 4-[(2S,4R)-4-chlorotetrahydropyr…

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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) 1.25 4.55 -7.76 0 3 0 27 200.669 1 ↓

Analogs

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Popular Name: 4-[(2R,4R)-4-chlorotetrahydropyran-2-yl]-1-methyl-pyrazole 4-[(2R,4R)-4-chlorotetrahydropyr…

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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) 1.25 4.44 -6.62 0 3 0 27 200.669 1 ↓

Analogs

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Popular Name: 4-[(2S,4S)-4-chlorotetrahydropyran-2-yl]-1-methyl-pyrazole 4-[(2S,4S)-4-chlorotetrahydropyr…

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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) 1.25 4.44 -6.67 0 3 0 27 200.669 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,4S)-4-chlorotetrahydropyran-2-yl]-1-methyl-pyrazole 4-[(2R,4S)-4-chlorotetrahydropyr…

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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) 1.25 4.55 -7.75 0 3 0 27 200.669 1 ↓

Parameters Provided:

ring.id = 480073
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 = 480073 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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