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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]pyrimidin-4-amine 6-chloro-N-[(3R)-1,1-dioxothiola…

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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) 0.53 1.47 -14.51 1 5 0 72 247.707 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyrimidin-4-amine 6-chloro-N-[(3S)-1,1-dioxothiola…

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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) 0.53 1.45 -14.87 1 5 0 72 247.707 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-pyrimidin-4-amine 6-chloro-N-[(3R)-1,1-dioxothiola…

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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) 0.78 3.29 -14.62 0 5 0 63 261.734 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-pyrimidin-4-amine 6-chloro-N-[(3S)-1,1-dioxothiola…

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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) 0.78 3.31 -14.12 0 5 0 63 261.734 2 ↓

Analogs

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Popular Name: 2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(3R)-1,1-dioxothiola…

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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) 0.95 1.45 -16.45 1 5 0 72 261.734 2 ↓

Analogs

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Popular Name: 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(3S)-1,1-dioxothiola…

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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) 0.95 1.44 -17.21 1 5 0 72 261.734 2 ↓

Analogs

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Popular Name: 2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N,6-dimethyl-pyrimidin-4-amine 2-chloro-N-[(3R)-1,1-dioxothiola…

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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) 1.20 3.27 -16.54 0 5 0 63 275.761 2 ↓

Analogs

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Popular Name: 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N,6-dimethyl-pyrimidin-4-amine 2-chloro-N-[(3S)-1,1-dioxothiola…

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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) 1.20 3.3 -15.65 0 5 0 63 275.761 2 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(3R)-3-meth…

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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) 1.40 2.71 -14.21 1 5 0 72 275.761 2 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(3S)-3-meth…

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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) 1.40 2.7 -14.18 1 5 0 72 275.761 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[(3R)-1,1-dioxothiola…

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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) 0.62 1.42 -14.7 1 5 0 72 261.734 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[(3S)-1,1-dioxothiola…

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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) 0.62 1.4 -14.97 1 5 0 72 261.734 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-pyrimidin-4-amine 6-chloro-N-[(3R)-1,1-dioxothiola…

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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) 0.86 3.22 -14.8 0 5 0 63 275.761 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-pyrimidin-4-amine 6-chloro-N-[(3S)-1,1-dioxothiola…

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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) 0.86 3.24 -14.25 0 5 0 63 275.761 2 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(3R)-3-meth…

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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) 1.07 2.65 -13.73 1 5 0 72 275.761 2 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(3S)-3-meth…

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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) 1.07 2.65 -13.22 1 5 0 72 275.761 2 ↓

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-(2-methylpyrimidin-4-yl)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) -1.82 3.76 -47.05 0 7 -1 103 284.317 4 ↓
Mid Mid (pH 6-8) -1.82 4.2 -51.76 1 7 0 105 285.325 4 ↓

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-(2-methylpyrimidin-4-yl)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) -1.82 3.8 -53.86 0 7 -1 103 284.317 4 ↓
Mid Mid (pH 6-8) -1.82 4.24 -58.96 1 7 0 105 285.325 4 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-methyl-pyrimidin-4-amine N-[(3R)-1,1-dioxothiolan-3-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) -0.40 1 -15.21 1 5 0 72 227.289 2 ↓
Mid Mid (pH 6-8) -0.40 1.44 -45.36 2 5 1 73 228.297 2 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-methyl-pyrimidin-4-amine N-[(3S)-1,1-dioxothiolan-3-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) -0.40 1 -15.77 1 5 0 72 227.289 2 ↓
Mid Mid (pH 6-8) -0.40 1.44 -46.65 2 5 1 73 228.297 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-6-methoxy-pyrimidin-4-amine N-[(3R)-1,1-dioxothiolan-3-yl]-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) -0.09 -0.52 -14.5 1 6 0 81 243.288 3 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-methoxy-pyrimidin-4-amine N-[(3S)-1,1-dioxothiolan-3-yl]-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) -0.09 -0.52 -14.71 1 6 0 81 243.288 3 ↓

Analogs

41527700
41527700

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Popular Name: 4-[[(3R)-1,1-dioxothiolan-3-yl]amino]-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-[[(3R)-1,1-dioxothiolan-3-yl]a…

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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 2.85 -14.93 1 6 0 96 284.366 3 ↓

Analogs

41527698
41527698

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Popular Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]amino]-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-[[(3S)-1,1-dioxothiolan-3-yl]a…

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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 2.87 -15.28 1 6 0 96 284.366 3 ↓

Parameters Provided:

ring.id = 21802
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 = 21802 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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