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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33834997
33834997
34849704
34849704
34949117
34949117

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2R,3R)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 2-[(1R,2R,3R)-2,3-dimethylcycloh…

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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) 3.91 8.53 -7.8 0 3 0 39 257.333 1 ↓

Analogs

33834997
33834997
34849704
34849704
34949117
34949117

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2R,3R)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 2-[(1S,2R,3R)-2,3-dimethylcycloh…

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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) 3.91 7.91 -7.16 0 3 0 39 257.333 1 ↓

Analogs

33834997
33834997
34849704
34849704
34949117
34949117

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 2-[(1S,2R,3S)-2,3-dimethylcycloh…

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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) 3.91 8.14 -5.95 0 3 0 39 257.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1R,2R,3R)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1R,2R,3R)-2,3-dimeth…

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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) 2.96 6.37 -10.01 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1R,2R,3S)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1R,2R,3S)-2,3-dimeth…

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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) 2.96 6.59 -10 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1S,2R,3R)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1S,2R,3R)-2,3-dimeth…

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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) 2.96 5.76 -9.49 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1S,2R,3S)-2,3-dimeth…

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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) 2.96 5.98 -8.23 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R,2R,3R)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1R,2R,3R)-2,3-dimeth…

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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) 3.03 6.49 -8.92 2 4 0 65 272.348 1 ↓

Analogs

34949112
34949112
37117919
37117919
37117921
37117921
37117924
37117924
37117926
37117926

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R,2R,3S)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1R,2R,3S)-2,3-dimeth…

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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) 3.03 6.71 -8.91 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S,2R,3R)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1S,2R,3R)-2,3-dimeth…

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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) 3.03 5.87 -8.4 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1S,2R,3S)-2,3-dimeth…

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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) 3.03 6.13 -7.25 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1S,2R)-2-methylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1S,2R)-2-methylcyclo…

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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) 2.72 5.53 -7.99 2 4 0 65 258.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1S,2S)-2-methylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1S,2S)-2-methylcyclo…

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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) 2.72 6.12 -10.12 2 4 0 65 258.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1R,2R)-2-methylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1R,2R)-2-methylcyclo…

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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) 2.72 6.12 -10.09 2 4 0 65 258.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1R,2S)-2-methylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1R,2S)-2-methylcyclo…

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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) 2.72 5.5 -8.34 2 4 0 65 258.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S,2R)-2-methylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1S,2R)-2-methylcyclo…

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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) 2.79 5.65 -7.38 2 4 0 65 258.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S,2S)-2-methylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1S,2S)-2-methylcyclo…

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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) 2.79 6.23 -9.02 2 4 0 65 258.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R,2R)-2-methylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1R,2R)-2-methylcyclo…

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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) 2.79 6.24 -9.02 2 4 0 65 258.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R,2S)-2-methylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1R,2S)-2-methylcyclo…

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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) 2.79 5.65 -7.37 2 4 0 65 258.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(4-methylcyclohexyl)isoindoline-1,3-dione 5-amino-2-(4-methylcyclohexyl)is…

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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) 2.25 5.68 -8.28 2 4 0 65 258.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(4-methylcyclohexyl)isoindoline-1,3-dione 4-amino-2-(4-methylcyclohexyl)is…

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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) 2.32 5.78 -8.19 2 4 0 65 258.321 1 ↓

Analogs

44510374
44510374
44510375
44510375

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(4-hydroxycyclohexyl)isoindoline-1,3-dione 5-amino-2-(4-hydroxycyclohexyl)i…

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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 1.67 -12.35 3 5 0 85 260.293 1 ↓

Analogs

44510376
44510376
44510377
44510377

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(4-hydroxycyclohexyl)isoindoline-1,3-dione 4-amino-2-(4-hydroxycyclohexyl)i…

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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) 0.93 1.82 -9.39 3 5 0 85 260.293 1 ↓

Analogs

235331
235331

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminocyclohexyl)isoindoline-1,3-dione 2-(4-aminocyclohexyl)isoindoline…

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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) 1.32 4.44 -48.04 3 4 1 67 245.302 1 ↓

Analogs

48391191
48391191
36703762
36703762
7608993
7608993
36750411
36750411
17357125
17357125

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminocyclohexyl)-5-methyl-isoindoline-1,3-dione 2-(4-aminocyclohexyl)-5-methyl-i…

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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) 1.74 5.11 -47.6 3 4 1 67 259.329 1 ↓

Analogs

235331
235331

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(methylamino)cyclohexyl]isoindoline-1,3-dione 2-[4-(methylamino)cyclohexyl]iso…

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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) 2.23 5.7 -37.35 2 4 1 56 259.329 2 ↓

Analogs

48391191
48391191
36703762
36703762
7608993
7608993
36750411
36750411
17357125
17357125

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[4-(methylamino)cyclohexyl]isoindoline-1,3-dione 5-methyl-2-[4-(methylamino)cyclo…

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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) 2.65 6.37 -37.16 2 4 1 56 273.356 2 ↓

Analogs

235331
235331

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Popular Name: 2-[4-(ethylamino)cyclohexyl]isoindoline-1,3-dione 2-[4-(ethylamino)cyclohexyl]isoi…

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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) 2.60 6.98 -41.53 2 4 1 56 273.356 3 ↓

Analogs

48391191
48391191
36703762
36703762
7608993
7608993
36750411
36750411
17357125
17357125

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(ethylamino)cyclohexyl]-5-methyl-isoindoline-1,3-dione 2-[4-(ethylamino)cyclohexyl]-5-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) 3.03 7.2 -35.88 2 4 1 56 287.383 3 ↓

Analogs

47966796
47966796
28628502
28628502
28628506
28628506
235331
235331

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(propylamino)cyclohexyl]isoindoline-1,3-dione 2-[4-(propylamino)cyclohexyl]iso…

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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) 3.11 7.3 -36.64 2 4 1 56 287.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S,2R,4R)-2,4-dimethylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1S,2R,4R)-2,4-dimeth…

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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) 2.80 6.25 -5.96 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S,2R,4S)-2,4-dimethylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1S,2R,4S)-2,4-dimeth…

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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) 2.80 6.06 -7.56 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1R,2R,4R)-2,4-dimeth…

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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) 2.80 6.83 -8.1 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R,2R,4S)-2,4-dimethylcyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1R,2R,4S)-2,4-dimeth…

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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) 2.80 6.6 -8.05 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1S,2R,4R)-2,4-dimethylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1S,2R,4R)-2,4-dimeth…

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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) 2.73 6.15 -6.25 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1S,2R,4S)-2,4-dimethylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1S,2R,4S)-2,4-dimeth…

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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) 2.73 5.95 -7.69 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1R,2R,4R)-2,4-dimeth…

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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) 2.73 6.73 -8.22 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1R,2R,4S)-2,4-dimethylcyclohexyl]isoindoline-1,3-dione 5-amino-2-[(1R,2R,4S)-2,4-dimeth…

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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) 2.73 6.51 -8.11 2 4 0 65 272.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S,2R)-2-methoxycyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1S,2R)-2-methoxycycl…

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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) 2.02 3.69 -8.3 2 5 0 74 274.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S,2S)-2-methoxycyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1S,2S)-2-methoxycycl…

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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) 2.02 4.27 -9.98 2 5 0 74 274.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R,2R)-2-methoxycyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1R,2R)-2-methoxycycl…

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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) 2.02 4.26 -10.01 2 5 0 74 274.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R,2S)-2-methoxycyclohexyl]isoindoline-1,3-dione 4-amino-2-[(1R,2S)-2-methoxycycl…

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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) 2.02 3.69 -8.25 2 5 0 74 274.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2R)-2-methylcyclohexyl]-1,3-dioxo-isoindoline-5-carboxylic 2-[(1S,2R)-2-methylcyclohexyl]-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) 3.56 8.24 -43.33 0 5 -1 79 286.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2S)-2-methylcyclohexyl]-1,3-dioxo-isoindoline-5-carboxylic 2-[(1S,2S)-2-methylcyclohexyl]-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) 3.56 8.8 -42.95 0 5 -1 79 286.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2R)-2-methylcyclohexyl]-1,3-dioxo-isoindoline-5-carboxylic 2-[(1R,2R)-2-methylcyclohexyl]-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) 3.56 8.8 -42.96 0 5 -1 79 286.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2S)-2-methylcyclohexyl]-1,3-dioxo-isoindoline-5-carboxylic 2-[(1R,2S)-2-methylcyclohexyl]-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) 3.56 8.24 -43.37 0 5 -1 79 286.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylcyclohexyl)-1,3-dioxo-isoindoline-5-carboxylic 2-(4-methylcyclohexyl)-1,3-dioxo…

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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) 3.09 8.37 -42.5 0 5 -1 79 286.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-hydroxycyclohexyl)-1,3-dioxo-isoindoline-5-carboxylic 2-(4-hydroxycyclohexyl)-1,3-diox…

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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) 1.70 4.42 -43.79 1 6 -1 99 288.279 2 ↓

Analogs

12848654
12848654

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3-dioxoisoindolin-2-yl)-4-methyl-cyclohexanecarboxylic 1-(1,3-dioxoisoindolin-2-yl)-4-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) 2.52 8.45 -59.61 0 5 -1 79 286.307 2 ↓

Analogs

12848654
12848654
1389509
1389509

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-1-(1,3-dioxoisoindolin-2-yl)-3-methyl-cyclohexanecarboxylic (1R,3R)-1-(1,3-dioxoisoindolin-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) 2.75 8.65 -59.78 0 5 -1 79 286.307 2 ↓

Parameters Provided:

ring.id = 24104
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 = 24104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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