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Analogs

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Popular Name: 3-amino-N,1-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrazole-4-sulfonamide 3-amino-N,1-dimethyl-N-[[(2S)-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) 0.11 1.37 -11.27 2 7 0 90 288.373 4 ↓

Analogs

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Popular Name: 3-amino-N,1-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrazole-4-sulfonamide 3-amino-N,1-dimethyl-N-[[(2R)-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) 0.11 1.71 -11.2 2 7 0 90 288.373 4 ↓

Analogs

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Popular Name: 3-amino-1-ethyl-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrazole-4-sulfonamide 3-amino-1-ethyl-N-methyl-N-[[(2S…

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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) 0.49 2.24 -11.08 2 7 0 90 302.4 5 ↓

Analogs

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Popular Name: 3-amino-1-ethyl-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrazole-4-sulfonamide 3-amino-1-ethyl-N-methyl-N-[[(2R…

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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) 0.49 2.58 -10.98 2 7 0 90 302.4 5 ↓

Analogs

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Popular Name: 3-amino-N-methyl-1-propyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrazole-4-sulfonamide 3-amino-N-methyl-1-propyl-N-[[(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) 0.99 3 -10.71 2 7 0 90 316.427 6 ↓

Analogs

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Popular Name: 3-amino-N-methyl-1-propyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrazole-4-sulfonamide 3-amino-N-methyl-1-propyl-N-[[(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) 0.99 3.34 -10.65 2 7 0 90 316.427 6 ↓

Analogs

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Popular Name: 2-[4-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]sulfamoyl]pyrazol-1-yl]acetic 2-[4-[methyl-[[(2S)-tetrahydropy…

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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) -0.25 4.16 -54.45 0 8 -1 105 316.359 6 ↓

Analogs

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Popular Name: 2-[4-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]sulfamoyl]pyrazol-1-yl]acetic 2-[4-[methyl-[[(2R)-tetrahydropy…

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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) -0.25 3.36 -51.77 0 8 -1 105 316.359 6 ↓

Analogs

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Popular Name: N,3,5-trimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]-1H-pyrazole-4-sulfonamide N,3,5-trimethyl-N-[[(2S)-tetrahy…

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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) 0.88 2.25 -9.52 1 6 0 75 287.385 4 ↓

Analogs

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Popular Name: N,3,5-trimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]-1H-pyrazole-4-sulfonamide N,3,5-trimethyl-N-[[(2R)-tetrahy…

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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) 0.88 3.07 -12.23 1 6 0 75 287.385 4 ↓

Analogs

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Popular Name: 5-chloro-1,3-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrazole-4-sulfonamide 5-chloro-1,3-dimethyl-N-[[(2S)-t…

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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) 1.29 1.5 -8.86 1 6 0 73 307.803 4 ↓

Analogs

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Popular Name: 5-chloro-1,3-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrazole-4-sulfonamide 5-chloro-1,3-dimethyl-N-[[(2R)-t…

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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) 1.29 1.49 -10.08 1 6 0 73 307.803 4 ↓

Analogs

36770676
36770676
36770677
36770677

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Popular Name: N,5-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]-1H-pyrazole-4-sulfonamide N,5-dimethyl-N-[[(2S)-tetrahydro…

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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) 0.66 1.53 -9.53 1 6 0 75 273.358 4 ↓

Analogs

36770676
36770676
36770677
36770677

Draw Identity 99% 90% 80% 70%

Popular Name: N,5-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]-1H-pyrazole-4-sulfonamide N,5-dimethyl-N-[[(2R)-tetrahydro…

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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) 0.66 1.69 -11.63 1 6 0 75 273.358 4 ↓

Parameters Provided:

ring.id = 541553
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 = 541553 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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