UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

28115535
28115535
34602631
34602631
36683032
36683032
36683085
36683085
9879584
9879584

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Popular Name: 1H-isoindole-1,3(2H)-dione, 2-[2-(2-ethoxyethoxy)phenyl]- 1H-isoindole-1,3(2H)-dione, 2-[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) 3.29 1.05 -17.37 0 5 0 57 311.337 6 ↓

Analogs

639404
639404

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Popular Name: 4-(1,3-dioxoisoindolin-2-yl)-N-methyl-benzamide 4-(1,3-dioxoisoindolin-2-yl)-N-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) 1.99 5.43 -15.77 1 5 0 68 280.283 2 ↓

Analogs

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Popular Name: (2R)-2-[4-(1,3-dioxoisoindolin-2-yl)phenoxy]propanoic (2R)-2-[4-(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) 2.47 1.36 -53.46 0 6 -1 88 310.285 4 ↓

Analogs

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Popular Name: (2S)-2-[4-(1,3-dioxoisoindolin-2-yl)phenoxy]propanoic (2S)-2-[4-(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) 2.47 1.36 -53.45 0 6 -1 88 310.285 4 ↓

Analogs

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Popular Name: 3-[2-(1,3-dioxoisoindolin-2-yl)phenoxy]propanoic 3-[2-(1,3-dioxoisoindolin-2-yl)p…

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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) 2.54 1.01 -56.77 0 6 -1 88 310.285 5 ↓

Analogs

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Popular Name: [2-oxo-2-(prop-2-ynylamino)ethyl] [2-oxo-2-(prop-2-ynylamino)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) 1.43 7.28 -20 2 9 0 124 419.393 7 ↓

Analogs

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Popular Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] [2-(1,1-dimethylpropylamino)-2-o…

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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 8.45 -19.04 2 9 0 124 451.479 8 ↓

Analogs

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Popular Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] [2-(1,1-dimethylpropylamino)-2-o…

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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) 4.17 9.79 -12.72 1 8 0 104 438.48 9 ↓

Analogs

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Popular Name: 4-[4-(1,3-dioxoisoindolin-2-yl)phenoxy]butanoic 4-[4-(1,3-dioxoisoindolin-2-yl)p…

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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 0.93 -53.79 0 6 -1 88 324.312 6 ↓

Analogs

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Popular Name: 4-amino-2-(5-chloro-2-methoxy-phenyl)isoindoline-1,3-dione 4-amino-2-(5-chloro-2-methoxy-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) 3.01 5.19 -14.83 2 5 0 74 302.717 2 ↓

Analogs

11993118
11993118

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Popular Name: (2R)-2-[2-(1,3-dioxoisoindolin-2-yl)phenoxy]propanoic (2R)-2-[2-(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) 2.63 1.59 -63.47 0 6 -1 88 310.285 4 ↓

Analogs

11993117
11993117

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Popular Name: (2S)-2-[2-(1,3-dioxoisoindolin-2-yl)phenoxy]propanoic (2S)-2-[2-(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) 2.63 1.6 -63.37 0 6 -1 88 310.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(1,3-dioxoisoindolin-2-yl)phenoxy]butanoic 4-[2-(1,3-dioxoisoindolin-2-yl)p…

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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) 2.81 1.16 -60.07 0 6 -1 88 324.312 6 ↓

Analogs

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Popular Name: 5-amino-2-(5-chloro-2-methyl-phenyl)isoindoline-1,3-dione 5-amino-2-(5-chloro-2-methyl-phe…

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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) 3.33 6.6 -13.4 2 4 0 65 286.718 1 ↓

Analogs

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Popular Name: 4-amino-2-(5-chloro-2-methyl-phenyl)isoindoline-1,3-dione 4-amino-2-(5-chloro-2-methyl-phe…

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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) 3.40 6.73 -12.33 2 4 0 65 286.718 1 ↓

Analogs

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Popular Name: 5-amino-2-(3-bromophenyl)isoindoline-1,3-dione 5-amino-2-(3-bromophenyl)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) 2.85 5.6 -11.19 2 4 0 65 317.142 1 ↓

Analogs

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Popular Name: 4-amino-2-(3-bromophenyl)isoindoline-1,3-dione 4-amino-2-(3-bromophenyl)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) 2.92 5.72 -10.25 2 4 0 65 317.142 1 ↓

Analogs

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Popular Name: 4-amino-2-(2,3-dimethylphenyl)isoindoline-1,3-dione 4-amino-2-(2,3-dimethylphenyl)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) 2.93 7.07 -13.36 2 4 0 65 266.3 1 ↓

Analogs

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Popular Name: 5-amino-2-(3-chlorophenyl)isoindoline-1,3-dione 5-amino-2-(3-chlorophenyl)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) 2.72 5.49 -11.35 2 4 0 65 272.691 1 ↓

Analogs

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Popular Name: 4-amino-2-(3-chlorophenyl)isoindoline-1,3-dione 4-amino-2-(3-chlorophenyl)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) 2.79 5.62 -10.35 2 4 0 65 272.691 1 ↓

Analogs

21795907
21795907

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Popular Name: 5-amino-2-(4-chlorophenyl)isoindoline-1,3-dione 5-amino-2-(4-chlorophenyl)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) 2.53 5.5 -10.05 2 4 0 65 272.691 1 ↓

Analogs

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Popular Name: 5-amino-2-(4-ethoxyphenyl)isoindoline-1,3-dione 5-amino-2-(4-ethoxyphenyl)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) 2.28 5.22 -12 2 5 0 74 282.299 3 ↓

Analogs

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Popular Name: 5-amino-2-(3-methylsulfanylphenyl)isoindoline-1,3-dione 5-amino-2-(3-methylsulfanylpheny…

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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) 2.47 6.01 -13.85 2 4 0 65 284.34 2 ↓

Analogs

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Popular Name: 4-amino-2-(3-methylsulfanylphenyl)isoindoline-1,3-dione 4-amino-2-(3-methylsulfanylpheny…

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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) 2.54 6.14 -13.05 2 4 0 65 284.34 2 ↓

Analogs

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Popular Name: 4-(5-amino-1,3-dioxo-isoindolin-2-yl)benzamide 4-(5-amino-1,3-dioxo-isoindolin-…

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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) 0.67 1.74 -18.27 4 6 0 108 281.271 2 ↓

Analogs

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Popular Name: 4-(4-amino-1,3-dioxo-isoindolin-2-yl)benzamide 4-(4-amino-1,3-dioxo-isoindolin-…

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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) 0.74 1.86 -17.62 4 6 0 108 281.271 2 ↓

Analogs

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Popular Name: 5-amino-2-(4-isopropylphenyl)isoindoline-1,3-dione 5-amino-2-(4-isopropylphenyl)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) 3.36 6.92 -11.63 2 4 0 65 280.327 2 ↓

Analogs

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Popular Name: 4-amino-2-(4-isopropylphenyl)isoindoline-1,3-dione 4-amino-2-(4-isopropylphenyl)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) 3.43 7.05 -10.75 2 4 0 65 280.327 2 ↓

Analogs

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Popular Name: 5-amino-2-(3-chloro-4-methyl-phenyl)isoindoline-1,3-dione 5-amino-2-(3-chloro-4-methyl-phe…

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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) 3.12 6.11 -11.47 2 4 0 65 286.718 1 ↓

Analogs

5394161
5394161

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Popular Name: 4-amino-2-(3-chloro-4-methyl-phenyl)isoindoline-1,3-dione 4-amino-2-(3-chloro-4-methyl-phe…

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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) 3.19 6.24 -10.48 2 4 0 65 286.718 1 ↓

Analogs

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Popular Name: 4-amino-2-(3-chloro-2-methyl-phenyl)isoindoline-1,3-dione 4-amino-2-(3-chloro-2-methyl-phe…

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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 6.88 -12.04 2 4 0 65 286.718 1 ↓

Analogs

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Popular Name: 5-amino-2-(2-isopropylphenyl)isoindoline-1,3-dione 5-amino-2-(2-isopropylphenyl)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) 3.05 7.56 -14.52 2 4 0 65 280.327 2 ↓

Analogs

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Popular Name: 4-amino-2-(2-isopropylphenyl)isoindoline-1,3-dione 4-amino-2-(2-isopropylphenyl)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) 3.12 7.68 -13.33 2 4 0 65 280.327 2 ↓

Analogs

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Popular Name: 5-amino-2-(2-methoxy-5-methyl-phenyl)isoindoline-1,3-dione 5-amino-2-(2-methoxy-5-methyl-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) 2.71 5.22 -17.39 2 5 0 74 282.299 2 ↓

Analogs

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Popular Name: 4-amino-2-(2-methoxy-5-methyl-phenyl)isoindoline-1,3-dione 4-amino-2-(2-methoxy-5-methyl-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) 2.78 5.35 -16.21 2 5 0 74 282.299 2 ↓

Analogs

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

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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) 2.41 5.34 -14.78 2 4 0 65 292.216 1 ↓

Analogs

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

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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 5.47 -13.75 2 4 0 65 292.216 1 ↓

Analogs

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Popular Name: 5-amino-2-(2,5-difluorophenyl)isoindoline-1,3-dione 5-amino-2-(2,5-difluorophenyl)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) 2.53 5.29 -14.54 2 4 0 65 274.226 1 ↓

Analogs

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Popular Name: 4-amino-2-(2,5-difluorophenyl)isoindoline-1,3-dione 4-amino-2-(2,5-difluorophenyl)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) 2.60 5.42 -13.51 2 4 0 65 274.226 1 ↓

Analogs

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Popular Name: 5-amino-2-(4-bromo-3-methyl-phenyl)isoindoline-1,3-dione 5-amino-2-(4-bromo-3-methyl-phen…

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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) 3.25 6.24 -10.37 2 4 0 65 331.169 1 ↓

Analogs

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Popular Name: 4-amino-2-(4-bromo-3-methyl-phenyl)isoindoline-1,3-dione 4-amino-2-(4-bromo-3-methyl-phen…

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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) 3.32 6.37 -9.51 2 4 0 65 331.169 1 ↓

Analogs

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

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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 6.02 -11.76 2 4 0 65 284.34 2 ↓

Analogs

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Popular Name: 4-amino-2-(4-methylsulfanylphenyl)isoindoline-1,3-dione 4-amino-2-(4-methylsulfanylpheny…

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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) 2.35 6.15 -10.96 2 4 0 65 284.34 2 ↓

Analogs

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Popular Name: 5-amino-2-(4-bromo-2-fluoro-phenyl)isoindoline-1,3-dione 5-amino-2-(4-bromo-2-fluoro-phen…

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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 5.85 -13.36 2 4 0 65 335.132 1 ↓

Analogs

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Popular Name: 4-amino-2-(4-bromo-2-fluoro-phenyl)isoindoline-1,3-dione 4-amino-2-(4-bromo-2-fluoro-phen…

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Activity (Go SEA)

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 5.98 -12.39 2 4 0 65 335.132 1 ↓

Analogs

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Popular Name: 5-amino-2-(2-bromo-4-methyl-phenyl)isoindoline-1,3-dione 5-amino-2-(2-bromo-4-methyl-phen…

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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) 3.25 6.74 -14.53 2 4 0 65 331.169 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(2-bromo-4-methyl-phenyl)isoindoline-1,3-dione 4-amino-2-(2-bromo-4-methyl-phen…

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Activity (Go SEA)

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) 3.32 6.88 -13.41 2 4 0 65 331.169 1 ↓

Analogs

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Popular Name: 5-amino-2-(2-ethoxyphenyl)isoindoline-1,3-dione 5-amino-2-(2-ethoxyphenyl)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) 2.45 5.47 -17.28 2 5 0 74 282.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(2-ethoxyphenyl)isoindoline-1,3-dione 4-amino-2-(2-ethoxyphenyl)isoind…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.6 -16.12 2 5 0 74 282.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(4-bromo-2-methyl-phenyl)isoindoline-1,3-dione 5-amino-2-(4-bromo-2-methyl-phen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.25 6.7 -12.08 2 4 0 65 331.169 1 ↓

Parameters Provided:

ring.id = 9291
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 = 9291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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