UCSF
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Analogs

7150345
7150345

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Popular Name: 4-nitro-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione 4-nitro-2-(tetrahydrofuran-2-ylm…

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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) 1.50 0.54 -16.67 0 7 0 94 276.248 3 ↓

Analogs

7150342
7150342

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Popular Name: 4-nitro-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione 4-nitro-2-(tetrahydrofuran-2-ylm…

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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) 1.50 0.59 -15.5 0 7 0 94 276.248 3 ↓

Analogs

36147645
36147645

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Popular Name: N-allyl-1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide N-allyl-1,3-dioxo-2-[[(2S)-tetra…

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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) 1.71 4.75 -14.5 1 6 0 77 314.341 5 ↓

Analogs

36147642
36147642

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Popular Name: N-allyl-1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide N-allyl-1,3-dioxo-2-[[(2R)-tetra…

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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) 1.71 4.76 -15.5 1 6 0 77 314.341 5 ↓

Analogs

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Popular Name: N-[1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]-2-propyl-pentanamide N-[1,3-dioxo-2-[[(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) 4.30 8.09 -14.65 1 6 0 77 372.465 8 ↓

Analogs

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Popular Name: N-[1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]-2-propyl-pentanamide N-[1,3-dioxo-2-[[(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) 4.30 8.21 -14.11 1 6 0 77 372.465 8 ↓

Analogs

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Popular Name: N-[1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]-2,2-dimethyl-propanamide N-[1,3-dioxo-2-[[(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) 2.76 5.9 -14.16 1 6 0 77 330.384 4 ↓

Analogs

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Popular Name: N-[1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]-2,2-dimethyl-propanamide N-[1,3-dioxo-2-[[(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) 2.76 6.02 -14.28 1 6 0 77 330.384 4 ↓

Analogs

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Popular Name: 2-chloro-N-[1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]acetamide 2-chloro-N-[1,3-dioxo-2-[[(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) 1.66 4.52 -17.66 1 6 0 77 322.748 4 ↓

Analogs

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Popular Name: 2-chloro-N-[1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]acetamide 2-chloro-N-[1,3-dioxo-2-[[(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) 1.66 4.62 -17.46 1 6 0 77 322.748 4 ↓

Analogs

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Popular Name: N-[1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]-2-methyl-prop-2-enamide N-[1,3-dioxo-2-[[(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) 2.25 5.21 -13.99 1 6 0 77 314.341 4 ↓

Analogs

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Popular Name: N-[1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]-2-methyl-prop-2-enamide N-[1,3-dioxo-2-[[(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) 2.25 5.33 -13.97 1 6 0 77 314.341 4 ↓

Analogs

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Popular Name: 4-[[1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]amino]-4-oxo-butanoic 4-[[1,3-dioxo-2-[[(2S)-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) 0.84 4.46 -52.53 1 8 -1 118 345.331 6 ↓
Lo Low (pH 4.5-6) 0.84 3.34 -18 2 8 0 115 346.339 6 ↓

Analogs

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Popular Name: 4-[[1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]amino]-4-oxo-butanoic 4-[[1,3-dioxo-2-[[(2R)-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) 0.84 4.58 -53.03 1 8 -1 118 345.331 6 ↓
Lo Low (pH 4.5-6) 0.84 3.46 -18.28 2 8 0 115 346.339 6 ↓

Analogs

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Popular Name: 5-[[1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]amino]-5-oxo-pentanoic 5-[[1,3-dioxo-2-[[(2S)-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) 1.35 5.24 -61.34 1 8 -1 118 359.358 7 ↓

Analogs

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Popular Name: 5-[[1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]amino]-5-oxo-pentanoic 5-[[1,3-dioxo-2-[[(2R)-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) 1.35 5.36 -61.94 1 8 -1 118 359.358 7 ↓

Analogs

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Popular Name: (E)-4-[[1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]amino]-4-oxo-but-2-enoic (E)-4-[[1,3-dioxo-2-[[(2S)-tetra…

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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) 0.82 4.32 -52.27 1 8 -1 118 343.315 5 ↓

Analogs

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Popular Name: (E)-4-[[1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]amino]-4-oxo-but-2-enoic (E)-4-[[1,3-dioxo-2-[[(2R)-tetra…

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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) 0.82 4.35 -52.51 1 8 -1 118 343.315 5 ↓

Analogs

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Popular Name: 4-chloro-N-[1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]butanamide 4-chloro-N-[1,3-dioxo-2-[[(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) 2.20 6.07 -18.07 1 6 0 77 350.802 6 ↓

Analogs

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Popular Name: 4-chloro-N-[1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindolin-5-yl]butanamide 4-chloro-N-[1,3-dioxo-2-[[(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) 2.20 6.19 -18.32 1 6 0 77 350.802 6 ↓

Analogs

39743816
39743816
39743818
39743818

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Popular Name: N-butyl-1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide N-butyl-1,3-dioxo-2-[[(2S)-tetra…

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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) 2.51 5.64 -16.75 1 6 0 77 330.384 6 ↓

Analogs

39743816
39743816
39743818
39743818

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Popular Name: N-butyl-1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide N-butyl-1,3-dioxo-2-[[(2R)-tetra…

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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) 2.51 5.76 -16.98 1 6 0 77 330.384 6 ↓

Analogs

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Popular Name: N-[(1R)-1,5-dimethylhexyl]-1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide N-[(1R)-1,5-dimethylhexyl]-1,3-d…

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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) 3.83 8.83 -14.76 1 6 0 77 386.492 8 ↓

Analogs

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Popular Name: N-[(1S)-1,5-dimethylhexyl]-1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide N-[(1S)-1,5-dimethylhexyl]-1,3-d…

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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) 3.83 8.82 -14.7 1 6 0 77 386.492 8 ↓

Analogs

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Popular Name: N-[(1R)-1,5-dimethylhexyl]-1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide N-[(1R)-1,5-dimethylhexyl]-1,3-d…

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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) 3.83 8.84 -15.75 1 6 0 77 386.492 8 ↓

Analogs

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Popular Name: N-[(1S)-1,5-dimethylhexyl]-1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide N-[(1S)-1,5-dimethylhexyl]-1,3-d…

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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) 3.83 8.83 -15.65 1 6 0 77 386.492 8 ↓

Analogs

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Popular Name: 1,3-dioxo-N-prop-2-ynyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide 1,3-dioxo-N-prop-2-ynyl-2-[[(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) 1.23 4.61 -16.15 1 6 0 77 312.325 4 ↓

Analogs

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Popular Name: 1,3-dioxo-N-prop-2-ynyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide 1,3-dioxo-N-prop-2-ynyl-2-[[(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) 1.23 4.73 -16.33 1 6 0 77 312.325 4 ↓

Analogs

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Popular Name: N-(3-isobutoxypropyl)-1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide N-(3-isobutoxypropyl)-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) 2.45 6.5 -15.04 1 7 0 87 388.464 9 ↓

Analogs

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Popular Name: N-(3-isobutoxypropyl)-1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxamide N-(3-isobutoxypropyl)-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) 2.45 6.51 -15.99 1 7 0 87 388.464 9 ↓

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