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Popular Name: (3R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(3,5-dimethylpyrazol-1…

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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) 0.14 2.09 -66.7 2 5 1 69 258.367 4 ↓
Mid Mid (pH 6-8) 0.14 0.91 -15.56 1 5 0 64 257.359 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(3,5-dimethylpyrazol-1…

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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) 0.14 2.1 -66.27 2 5 1 69 258.367 4 ↓
Mid Mid (pH 6-8) 0.14 0.95 -15.15 1 5 0 64 257.359 4 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiolan-3-amine (3R)-1,1-dioxo-N-[2-[3-(trifluor…

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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) 0.83 1.99 -71.1 2 5 1 69 298.31 5 ↓
Mid Mid (pH 6-8) 0.83 0.81 -16.84 1 5 0 64 297.302 5 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiolan-3-amine (3S)-1,1-dioxo-N-[2-[3-(trifluor…

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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) 0.83 2 -70.52 2 5 1 69 298.31 5 ↓
Mid Mid (pH 6-8) 0.83 0.85 -16.4 1 5 0 64 297.302 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-methylpyrazol-1-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) 0.07 1.7 -64.34 2 5 1 69 244.34 4 ↓
Mid Mid (pH 6-8) 0.07 0.53 -14.59 1 5 0 64 243.332 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-methylpyrazol-1-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) 0.07 1.71 -63.9 2 5 1 69 244.34 4 ↓
Mid Mid (pH 6-8) 0.07 0.56 -14.33 1 5 0 64 243.332 4 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-bromo-3,5-dimethyl-…

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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) 0.87 2.66 -69.19 2 5 1 69 337.263 4 ↓
Mid Mid (pH 6-8) 0.87 1.49 -15.1 1 5 0 64 336.255 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-bromo-3,5-dimethyl-…

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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) 0.87 2.68 -68.7 2 5 1 69 337.263 4 ↓
Mid Mid (pH 6-8) 0.87 1.53 -14.8 1 5 0 64 336.255 4 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-chloro-3,5-dimethyl…

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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) 0.74 2.58 -69.19 2 5 1 69 292.812 4 ↓
Mid Mid (pH 6-8) 0.74 1.41 -15.13 1 5 0 64 291.804 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-chloro-3,5-dimethyl…

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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) 0.74 2.59 -68.76 2 5 1 69 292.812 4 ↓
Mid Mid (pH 6-8) 0.74 1.44 -14.83 1 5 0 64 291.804 4 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-chloropyrazol-1-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) 0.30 1.53 -67.11 2 5 1 69 264.758 4 ↓
Mid Mid (pH 6-8) 0.30 0.36 -14.39 1 5 0 64 263.75 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-chloropyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-chloropyrazol-1-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) 0.30 1.55 -66.8 2 5 1 69 264.758 4 ↓
Mid Mid (pH 6-8) 0.30 0.39 -14.29 1 5 0 64 263.75 4 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-bromopyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-bromopyrazol-1-yl)e…

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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 1.64 -67.12 2 5 1 69 309.209 4 ↓
Mid Mid (pH 6-8) 0.43 0.46 -14.27 1 5 0 64 308.201 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-bromopyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-bromopyrazol-1-yl)e…

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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 1.65 -66.8 2 5 1 69 309.209 4 ↓
Mid Mid (pH 6-8) 0.43 0.5 -14.22 1 5 0 64 308.201 4 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]thiolan-3-amine (3R)-1,1-dioxo-N-[2-(3,4,5-trime…

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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) 0.51 2.71 -65.91 2 5 1 69 272.394 4 ↓
Mid Mid (pH 6-8) 0.51 1.54 -15.59 1 5 0 64 271.386 4 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]thiolan-3-amine (3S)-1,1-dioxo-N-[2-(3,4,5-trime…

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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) 0.51 2.72 -66.12 2 5 1 69 272.394 4 ↓
Mid Mid (pH 6-8) 0.51 1.58 -16.79 1 5 0 64 271.386 4 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-ethyl-3,5-dimethyl-…

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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) 0.98 3.45 -65.77 2 5 1 69 286.421 5 ↓
Mid Mid (pH 6-8) 0.98 2.28 -15.24 1 5 0 64 285.413 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-ethyl-3,5-dimethyl-…

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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) 0.98 3.46 -65.92 2 5 1 69 286.421 5 ↓
Mid Mid (pH 6-8) 0.98 2.32 -16.43 1 5 0 64 285.413 5 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-propyl-N-(2-pyrazol-1-ylethyl)thiolan-3-amine (3S)-1,1-dioxo-N-propyl-N-(2-pyr…

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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) 0.82 2.1 -15.41 0 5 0 55 271.386 6 ↓
Mid Mid (pH 6-8) 0.82 4.05 -58.71 1 5 1 56 272.394 6 ↓

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-(2-pyrazol-1-ylethyl)amino]acetic 2-[[(3R)-1,1-dioxothiolan-3-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) -1.73 3.31 -46.39 1 7 0 97 287.341 6 ↓
Hi High (pH 8-9.5) -1.73 1.07 -57.44 0 7 -1 95 286.333 6 ↓

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-(2-pyrazol-1-ylethyl)amino]acetic 2-[[(3S)-1,1-dioxothiolan-3-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) -1.73 3.25 -46.07 1 7 0 97 287.341 6 ↓
Hi High (pH 8-9.5) -1.73 1.07 -49.42 0 7 -1 95 286.333 6 ↓

Parameters Provided:

ring.id = 72261
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 72261 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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