UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)carbonyl]ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-di 2-[2-[(8-methyl-3,4-dihydro-2H-q…

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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) 2.56 9.65 -11.3 0 5 0 58 354.45 3 ↓

Analogs

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Popular Name: (3aS,7aR)-2-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[(2S)-2-(4-aminophen…

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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) 0.89 3.63 -8.59 3 5 0 84 288.347 3 ↓

Analogs

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Popular Name: (3aS,7aR)-2-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[(2R)-2-(4-aminophen…

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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) 0.89 3.46 -8.46 3 5 0 84 288.347 3 ↓

Analogs

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Popular Name: (3aS,7aR)-2-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[[(3S,6R)-6-methyl-3…

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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) 1.89 6.03 -37.19 2 4 1 54 265.377 2 ↓

Analogs

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Popular Name: (3aS,7aR)-2-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[[(3S,6S)-6-methyl-3…

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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) 1.89 6.31 -36.31 2 4 1 54 265.377 2 ↓

Analogs

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Popular Name: (3aS,7aR)-2-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[[(3R,6R)-6-methyl-3…

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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) 1.89 6.35 -36.02 2 4 1 54 265.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,7aR)-2-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[[(3R,6S)-6-methyl-3…

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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) 1.89 6.06 -36.91 2 4 1 54 265.377 2 ↓

Analogs

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Popular Name: (3aS,7aR)-2-[3-[(2R)-4-methyl-2-phenyl-piperazin-1-yl]-3-oxo-propyl]-3a,4,5,6,7,7a-hexahydroisoindol (3aS,7aR)-2-[3-[(2R)-4-methyl-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) 2.10 7.93 -12.2 0 6 0 61 383.492 4 ↓
Mid Mid (pH 6-8) 2.10 10.28 -51.3 1 6 1 62 384.5 4 ↓

Analogs

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Popular Name: (3aS,7aR)-2-[[4-(2-aminoethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[[4-(2-aminoethyl)ph…

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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) 1.38 6.66 -48.98 3 4 1 65 287.383 4 ↓

Analogs

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Popular Name: (3aS,7aR)-2-[(3-aminophenyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[(3-aminophenyl)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) 1.45 5.71 -6.9 2 4 0 63 258.321 2 ↓

Analogs

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Popular Name: 3-[(3aR,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methyl-phenyl 3-[(3aR,5S,7aR)-5-methyl-1,3-dio…

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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) 4.62 11.34 -17.78 1 5 0 66 410.901 3 ↓
Ref Reference (pH 7) 4.62 11.28 -16.61 1 5 0 66 410.901 3 ↓

Analogs

36881022
36881022
36881023
36881023
36881026
36881026
36881027
36881027
36881028
36881028

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-(3-methylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione 5-methyl-2-(3-methylphenyl)hexah…

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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) 3.13 8.3 -7.1 0 3 0 37 257.333 1 ↓
Ref Reference (pH 7) 3.13 8.58 -8.74 0 3 0 37 257.333 1 ↓

Analogs

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Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methoxyphenyl)acetamide 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,…

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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) 2.18 5.89 -13.21 1 6 0 76 316.357 4 ↓

Analogs

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Popular Name: (3aS,7aS)-2-[[(2-methoxyphenyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aS)-2-[[(2-methoxyphenyl)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) 2.48 5.88 -7.26 1 5 0 59 288.347 4 ↓
Ref Reference (pH 7) 2.48 5.89 -7.17 1 5 0 59 288.347 4 ↓

Analogs

39123663
39123663

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Popular Name: (3aR,7aR)-2-(morpholinomethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aR,7aR)-2-(morpholinomethyl)-3…

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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 2.84 -6.86 0 5 0 50 252.314 2 ↓
Ref Reference (pH 7) 0.86 2.86 -6.6 0 5 0 50 252.314 2 ↓
Ref Reference (pH 7) 0.86 2.89 -7.97 0 5 0 50 252.314 2 ↓

Analogs

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Popular Name: N-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]-N-phenylacetamide N-[(1,3-dioxooctahydro-2H-isoind…

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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) 2.08 9.38 -11.29 0 5 0 58 300.358 3 ↓
Ref Reference (pH 7) 2.08 8.4 -11.13 0 5 0 58 300.358 3 ↓

Analogs

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Popular Name: N-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]-N-(2-methylphenyl)acetamide N-[(1,3-dioxooctahydro-2H-isoind…

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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) 2.48 9.56 -10.73 0 5 0 58 314.385 3 ↓
Ref Reference (pH 7) 2.48 10.25 -11.03 0 5 0 58 314.385 3 ↓

Analogs

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Popular Name: 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione 2-(3-toluidinomethyl)hexahydro-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) 2.89 7.15 -6.19 1 4 0 49 272.348 3 ↓
Ref Reference (pH 7) 2.89 7.13 -6.32 1 4 0 49 272.348 3 ↓

Analogs

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Popular Name: (3aS,7aS)-2-[(o-tolylamino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aS)-2-[(o-tolylamino)methy…

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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) 2.87 7.25 -6.28 1 4 0 49 272.348 3 ↓
Ref Reference (pH 7) 2.87 7.27 -6.18 1 4 0 49 272.348 3 ↓

Analogs

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Popular Name: (3aS,7aS)-2-[(p-tolylamino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aS)-2-[(p-tolylamino)methy…

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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) 2.92 7.16 -6.13 1 4 0 49 272.348 3 ↓
Ref Reference (pH 7) 2.92 7.14 -6.27 1 4 0 49 272.348 3 ↓

Analogs

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Popular Name: [2-(4-bromophenyl)-2-oxo-ethyl] [2-(4-bromophenyl)-2-oxo-ethyl]

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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) 4.82 13.11 -11.15 0 6 0 81 470.319 6 ↓
Ref Reference (pH 7) 4.82 13.12 -11.2 0 6 0 81 470.319 6 ↓

Analogs

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Popular Name: (3aR,7aR)-2-[[(2,5-dimethylphenyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aR,7aR)-2-[[(2,5-dimethylpheny…

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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) 3.30 7.94 -6.23 1 4 0 49 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,7aS)-2-[[(2,5-dimethylphenyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aR,7aS)-2-[[(2,5-dimethylpheny…

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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) 3.29 7.93 -6.35 1 4 0 49 286.375 3 ↓
Ref Reference (pH 7) 3.29 7.99 -6.81 1 4 0 49 286.375 3 ↓

Analogs

43413542
43413542
43413544
43413544
4113406
4113406

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid 6-(1,3-dioxooctahydro-2H-isoindo…

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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) 1.80 7.02 -52.87 0 5 -1 78 266.317 6 ↓
Lo Low (pH 4.5-6) 1.80 5.9 -13.43 1 5 0 75 267.325 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6…

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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) 4.49 11.58 -10.14 0 5 0 64 343.423 7 ↓
Ref Reference (pH 7) 4.49 11.57 -10.14 0 5 0 64 343.423 7 ↓

Analogs

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Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.99 12.35 -10.18 0 5 0 64 357.45 8 ↓
Ref Reference (pH 7) 4.99 12.36 -10.16 0 5 0 64 357.45 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6…

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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) 4.46 11.64 -12.29 0 5 0 64 343.423 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6…

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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) 4.46 11.58 -10.91 0 5 0 64 343.423 7 ↓
Ref Reference (pH 7) 4.46 11.59 -10.89 0 5 0 64 343.423 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate 2-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.94 12.62 -14.73 0 5 0 64 357.45 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate 3-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.97 12.36 -10.98 0 5 0 64 357.45 8 ↓
Ref Reference (pH 7) 4.97 12.37 -10.88 0 5 0 64 357.45 8 ↓

Analogs

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Popular Name: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl hexanoate 2-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.44 11.82 -14.98 0 5 0 64 343.423 7 ↓
Ref Reference (pH 7) 4.44 11.81 -14.93 0 5 0 64 343.423 7 ↓

Analogs

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Popular Name: (3aS,7aR)-2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[3-(trifluoromethyl)…

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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) 3.57 8.26 -7.15 0 3 0 37 297.276 2 ↓
Ref Reference (pH 7) 3.57 8.32 -8.5 0 3 0 37 297.276 2 ↓

Analogs

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Popular Name: (3aS,7aS)-2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aS)-2-[3-(trifluoromethyl)…

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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) 3.57 8.25 -7.16 0 3 0 37 297.276 2 ↓

Analogs

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Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 3.84 12.24 -11.7 0 5 0 64 363.413 5 ↓
Ref Reference (pH 7) 3.84 12.23 -11.65 0 5 0 64 363.413 5 ↓

Analogs

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Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 3-nitrobenzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.50 12.14 -15.26 0 8 0 110 394.383 5 ↓
Ref Reference (pH 7) 4.50 12.15 -15.3 0 8 0 110 394.383 5 ↓

Analogs

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Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.52 12.16 -11.33 0 8 0 110 394.383 5 ↓

Analogs

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Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 5.37 12.07 -9.32 0 5 0 64 428.282 4 ↓

Analogs

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Popular Name: [4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6…

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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) 4.66 11.61 -17.23 0 6 0 73 379.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6…

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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) 4.66 11.51 -14.32 0 6 0 73 379.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 3-methoxybenzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.60 10.74 -12.72 0 6 0 73 379.412 5 ↓
Ref Reference (pH 7) 4.60 10.74 -12.7 0 6 0 73 379.412 5 ↓

Analogs

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Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-chlorobenzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.86 11.84 -12.26 0 5 0 64 383.831 4 ↓
Ref Reference (pH 7) 4.86 11.84 -12.32 0 5 0 64 383.831 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl benzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.57 11.44 -10.97 0 5 0 64 349.386 4 ↓
Ref Reference (pH 7) 4.57 11.45 -11.03 0 5 0 64 349.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6…

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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) 3.66 8.32 -15.22 0 6 0 81 385.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6…

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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) 3.66 8.19 -12.3 0 6 0 81 385.441 4 ↓
Ref Reference (pH 7) 3.66 8.2 -12.47 0 6 0 81 385.441 4 ↓

Analogs

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Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl (2-methylphenoxy)acetate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.12 12.44 -13.36 0 6 0 73 393.439 6 ↓

Analogs

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Popular Name: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate 3-(1,3-dioxooctahydro-2H-isoindo…

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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) 3.82 12.24 -12.23 0 5 0 64 363.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate 3-(1,3-dioxooctahydro-2H-isoindo…

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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) 5.35 12.03 -11.24 0 5 0 64 428.282 4 ↓
Ref Reference (pH 7) 5.35 12.04 -11.38 0 5 0 64 428.282 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-methoxybenzoate 3-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.63 11.49 -15.48 0 6 0 73 379.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 3-methoxybenzoate 3-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.57 10.73 -15.04 0 6 0 73 379.412 5 ↓
Ref Reference (pH 7) 4.57 10.73 -15.2 0 6 0 73 379.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-chlorobenzoate 3-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.83 11.83 -14.73 0 5 0 64 383.831 4 ↓
Ref Reference (pH 7) 4.83 11.82 -14.55 0 5 0 64 383.831 4 ↓

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