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Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-methyl-cyclopropanecarboxamide N-(6-isobutyl-4,5-dihydropyrazol…

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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) 3.16 9.52 -22.69 0 5 0 51 330.457 4 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-methyl-cyclopentanecarboxamide N-(6-isobutyl-4,5-dihydropyrazol…

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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) 4.07 10.62 -22.83 0 5 0 51 358.511 4 ↓

Analogs

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Popular Name: (3R)-N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-methyl-tetrahydrofuran-3-carb (3R)-N-(6-isobutyl-4,5-dihydropy…

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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) 2.77 7.99 -25.12 0 6 0 60 360.483 4 ↓

Analogs

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Popular Name: (3S)-N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-methyl-tetrahydrofuran-3-carb (3S)-N-(6-isobutyl-4,5-dihydropy…

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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) 2.77 8.01 -22.44 0 6 0 60 360.483 4 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-methyl-2-phenoxy-acetamide N-(6-isobutyl-4,5-dihydropyrazol…

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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) 3.97 11.7 -27.56 0 6 0 60 396.516 6 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,2-benz N-(6-isobutyl-4,5-dihydropyrazol…

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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) 3.90 11.26 -19.88 0 7 0 77 411.531 4 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-methyl-2,3-dihydro-1,4-benzodioxin N-(6-isobutyl-4,5-dihydropyrazol…

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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) 3.51 9.91 -25.54 0 7 0 69 424.526 4 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-methyl-pyridine-4-carboxamide N-(6-isobutyl-4,5-dihydropyrazol…

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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) 2.71 9 -23.15 0 6 0 64 367.478 4 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-(2-methoxyethyl)cyclopropanecarbox N-(6-isobutyl-4,5-dihydropyrazol…

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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) 3.14 9.78 -23.36 0 6 0 60 374.51 7 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-(2-methoxyethyl)cyclopentanecarbox N-(6-isobutyl-4,5-dihydropyrazol…

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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) 4.05 11.25 -23.11 0 6 0 60 402.564 7 ↓

Analogs

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Popular Name: (3R)-N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-(2-methoxyethyl)tetrahydrofur (3R)-N-(6-isobutyl-4,5-dihydropy…

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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) 2.76 7.28 -15.99 0 7 0 69 404.536 7 ↓

Analogs

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Popular Name: (3S)-N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-(2-methoxyethyl)tetrahydrofur (3S)-N-(6-isobutyl-4,5-dihydropy…

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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) 2.76 8.04 -14.43 0 7 0 69 404.536 7 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-(2-methoxyethyl)thiophene-2-carbox N-(6-isobutyl-4,5-dihydropyrazol…

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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) 3.88 9.22 -15.96 0 6 0 60 416.572 7 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-(2-methoxyethyl)pyridine-4-carboxa N-(6-isobutyl-4,5-dihydropyrazol…

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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) 2.69 8.88 -16.2 0 7 0 73 411.531 7 ↓

Analogs

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Popular Name: (3R)-N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)tetrahydrofuran-3-carboxamide (3R)-N-(6-isobutyl-4,5-dihydropy…

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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) 2.53 7 -24.9 1 6 0 69 346.456 4 ↓

Analogs

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Popular Name: (3S)-N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)tetrahydrofuran-3-carboxamide (3S)-N-(6-isobutyl-4,5-dihydropy…

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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) 2.53 6.98 -22.85 1 6 0 69 346.456 4 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbo N-(6-isobutyl-4,5-dihydropyrazol…

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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) 3.26 8.63 -26.58 1 7 0 78 410.499 4 ↓
Hi High (pH 8-9.5) 3.33 7.72 -57.35 0 7 -1 85 409.491 4 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-4-carboxamide N-(6-isobutyl-4,5-dihydropyrazol…

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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) 2.46 7.73 -23.84 1 6 0 73 353.451 4 ↓
Hi High (pH 8-9.5) 2.53 6.77 -52.32 0 6 -1 79 352.443 4 ↓

Analogs

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Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyrazine-2-carboxamide N-(6-isobutyl-4,5-dihydropyrazol…

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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) 2.29 5.95 -21.89 1 7 0 86 354.439 4 ↓
Hi High (pH 8-9.5) 2.35 4.75 -56.48 0 7 -1 92 353.431 4 ↓

Analogs

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Popular Name: 5-acetyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-3-carboxamide 5-acetyl-N-(6-methyl-4,5-dihydro…

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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) 2.36 -1.5 -31.37 1 6 0 77 358.448 3 ↓

Analogs

12219800
12219800

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Popular Name: (2R)-2-(2,4-dioxothiazolidin-3-yl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)prop (2R)-2-(2,4-dioxothiazolidin-3-y…

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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) 0.85 -1.92 -26.84 1 8 0 97 377.451 3 ↓

Analogs

12219799
12219799

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Popular Name: (2S)-2-(2,4-dioxothiazolidin-3-yl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)prop (2S)-2-(2,4-dioxothiazolidin-3-y…

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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) 0.85 -1.92 -26.85 1 8 0 97 377.451 3 ↓

Analogs

12219802
12219802

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Popular Name: (2S)-2-(3-methoxyphenoxy)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide (2S)-2-(3-methoxyphenoxy)-N-(6-m…

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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) 3.00 -0.65 -28.75 1 7 0 78 384.461 5 ↓

Analogs

12219801
12219801

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Popular Name: (2R)-2-(3-methoxyphenoxy)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide (2R)-2-(3-methoxyphenoxy)-N-(6-m…

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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) 3.00 -0.69 -28.86 1 7 0 78 384.461 5 ↓

Analogs

12219804
12219804

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Popular Name: (2S)-2-(2-methoxyphenoxy)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide (2S)-2-(2-methoxyphenoxy)-N-(6-m…

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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) 2.58 -0.42 -29.72 1 7 0 78 384.461 5 ↓

Analogs

12219803
12219803

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Popular Name: (2R)-2-(2-methoxyphenoxy)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide (2R)-2-(2-methoxyphenoxy)-N-(6-m…

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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) 2.58 -0.48 -29.74 1 7 0 78 384.461 5 ↓

Analogs

12219850
12219850
12220196
12220196
12220197
12220197
12327235
12327235
12327239
12327239

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Popular Name: (3S)-1-tert-butyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxo-pyrrolidine-3- (3S)-1-tert-butyl-N-(6-methyl-4,…

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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) 1.96 -1.46 -23.33 1 7 0 80 373.482 3 ↓

Analogs

12220196
12220196
12220197
12220197
12327235
12327235
12327239
12327239
12219849
12219849

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Popular Name: (3R)-1-tert-butyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxo-pyrrolidine-3- (3R)-1-tert-butyl-N-(6-methyl-4,…

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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) 1.96 -1.47 -23.46 1 7 0 80 373.482 3 ↓

Analogs

12291876
12291876

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Popular Name: 2-(4-chlorophenyl)-2-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide 2-(4-chlorophenyl)-2-methyl-N-(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) 4.37 -0.4 -21.67 1 5 0 60 386.908 3 ↓

Analogs

12220197
12220197
12327235
12327235
12327239
12327239
12219849
12219849
12219850
12219850

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Popular Name: (3S)-1-isopropyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxo-pyrrolidine-3-c (3S)-1-isopropyl-N-(6-methyl-4,5…

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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) 1.45 -1.72 -27.96 1 7 0 80 359.455 3 ↓

Analogs

12327235
12327235
12327239
12327239
12219849
12219849
12219850
12219850

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Popular Name: (3R)-1-isopropyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxo-pyrrolidine-3-c (3R)-1-isopropyl-N-(6-methyl-4,5…

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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) 1.45 -1.79 -23.93 1 7 0 80 359.455 3 ↓

Analogs

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Popular Name: 3-(3-isopropoxyisoxazol-5-yl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanami 3-(3-isopropoxyisoxazol-5-yl)-N-…

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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) 2.64 -1.43 -22.5 1 8 0 95 387.465 6 ↓

Analogs

19522777
19522777

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Popular Name: 3-isopropyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)isoxazole-5-carboxamide 3-isopropyl-N-(6-methyl-4,5-dihy…

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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) 2.63 -0.19 -17.42 1 7 0 86 343.412 3 ↓

Analogs

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Popular Name: 2-(2-isopropylphenoxy)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide 2-(2-isopropylphenoxy)-N-(6-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) 3.59 -0.13 -25.61 1 6 0 69 382.489 5 ↓

Analogs

12220761
12220761
12220762
12220762
12220763
12220763

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Popular Name: (3S)-1-[(1R)-2-methoxy-1-methyl-ethyl]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl) (3S)-1-[(1R)-2-methoxy-1-methyl-…

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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) 1.09 -1.31 -28.94 1 8 0 89 389.481 5 ↓

Analogs

12220762
12220762
12220763
12220763
12220760
12220760

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Popular Name: (3S)-1-[(1S)-2-methoxy-1-methyl-ethyl]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl) (3S)-1-[(1S)-2-methoxy-1-methyl-…

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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) 1.09 -1.32 -28.48 1 8 0 89 389.481 5 ↓

Analogs

12220763
12220763
12220760
12220760
12220761
12220761

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R)-2-methoxy-1-methyl-ethyl]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl) (3R)-1-[(1R)-2-methoxy-1-methyl-…

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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) 1.09 -1.34 -24.88 1 8 0 89 389.481 5 ↓

Analogs

12220760
12220760
12220761
12220761

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S)-2-methoxy-1-methyl-ethyl]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl) (3R)-1-[(1S)-2-methoxy-1-methyl-…

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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) 1.09 -1.31 -28.76 1 8 0 89 389.481 5 ↓

Analogs

12220824
12220824

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Popular Name: (2S)-2-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-(2-thienyl)propanamide (2S)-2-methyl-N-(6-methyl-4,5-di…

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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) 3.37 -1.44 -19.81 1 5 0 60 358.492 4 ↓

Analogs

12220823
12220823

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-(2-thienyl)propanamide (2R)-2-methyl-N-(6-methyl-4,5-di…

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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) 3.37 -1.34 -19.85 1 5 0 60 358.492 4 ↓

Analogs

12220888
12220888
19136390
19136390
19136394
19136394

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-phenyl-propanamide (2R)-N-(6-methyl-4,5-dihydropyra…

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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) 3.52 -0.68 -21.98 1 5 0 60 338.436 3 ↓

Analogs

19136390
19136390
19136394
19136394
12220887
12220887

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-phenyl-propanamide (2S)-N-(6-methyl-4,5-dihydropyra…

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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) 3.52 -0.68 -21.96 1 5 0 60 338.436 3 ↓

Parameters Provided:

ring.id = 49821
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 = 49821 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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