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Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-acetamide N-(5-chloro-2,4-dimethoxy-phenyl…

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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) 2.33 5.65 -15.04 1 7 0 85 378.812 5 ↓

Analogs

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Popular Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-iodo-4-methyl-phenyl)-acetamide 2-(1,3-dioxo-3a,4,7,7a-tetrahydr…

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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 8.01 -11.5 1 5 0 66 424.238 3 ↓

Analogs

12038704
12038704

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Popular Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-(4-methylsulfanylphenyl)-pentanamide 2-(1,3-dioxo-3a,4,7,7a-tetrahydr…

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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) 3.39 10.34 -14.44 1 5 0 66 386.517 6 ↓

Analogs

12038703
12038703

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Popular Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-(4-methylsulfanylphenyl)-pentanamide 2-(1,3-dioxo-3a,4,7,7a-tetrahydr…

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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) 3.39 11.19 -14.54 1 5 0 66 386.517 6 ↓

Analogs

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Popular Name: (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-difluorophenyl)-4-methyl-penta (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,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) 3.21 10.16 -10.74 1 5 0 66 376.403 5 ↓

Analogs

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Popular Name: (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-difluorophenyl)-4-methyl-penta (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,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) 3.21 9.3 -10.92 1 5 0 66 376.403 5 ↓

Analogs

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Popular Name: (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-bromo-2-fluoro-phenyl)-4-methyl- (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,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) 3.85 10.95 -8.57 1 5 0 66 437.309 5 ↓

Analogs

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Popular Name: (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-bromo-2-fluoro-phenyl)-4-methyl- (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,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) 3.85 10.35 -8.8 1 5 0 66 437.309 5 ↓

Analogs

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Popular Name: (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]pr (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,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) 2.62 8.53 -14.55 1 6 0 76 396.365 6 ↓

Analogs

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Popular Name: (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]pr (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,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) 2.62 7.5 -16.67 1 6 0 76 396.365 6 ↓

Analogs

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Popular Name: (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-diethylaminophenyl)-4-methyl-pen (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,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) 3.81 12.4 -26.49 2 6 0 71 412.554 8 ↓
Mid Mid (pH 6-8) 3.81 12.49 -12.95 1 6 0 70 411.546 8 ↓
Mid Mid (pH 6-8) 3.81 12.53 -12.36 1 6 0 70 411.546 8 ↓

Analogs

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Popular Name: (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-diethylaminophenyl)-4-methyl-pen (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,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) 3.81 11.53 -26.61 2 6 0 71 412.554 8 ↓
Mid Mid (pH 6-8) 3.81 11.52 -13.31 1 6 0 70 411.546 8 ↓
Mid Mid (pH 6-8) 3.81 11.44 -12.38 1 6 0 70 411.546 8 ↓

Analogs

14244524
14244524

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Popular Name: propyl propyl

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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) 4.00 12.06 -14.64 1 7 0 93 426.513 9 ↓
Ref Reference (pH 7) 4.00 12.38 -13.48 1 7 0 93 426.513 9 ↓

Analogs

14244523
14244523

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Popular Name: propyl propyl

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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) 4.00 11.59 -14.22 1 7 0 93 426.513 9 ↓
Ref Reference (pH 7) 4.00 11.5 -13.28 1 7 0 93 426.513 9 ↓

Analogs

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Popular Name: 3-[[2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-N-ethyl-benzamide 3-[[2-[(3aR,7aS)-1,3-dioxo-3a,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) 1.23 5.49 -23.73 2 7 0 96 355.394 5 ↓

Analogs

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Popular Name: 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]ac 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a…

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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) 2.10 6.91 -17.58 1 9 0 113 463.556 9 ↓

Analogs

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Popular Name: 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]ace 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a…

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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) 3.44 8.55 -13.36 1 6 0 76 410.392 7 ↓

Parameters Provided:

ring.id = 73049
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 = 73049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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