UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34329853
34329853

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Popular Name: 1-benzyl-3,4-dimethyl-pyrrole-2,5-dione 1-benzyl-3,4-dimethyl-pyrrole-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) 2.13 6.82 -7.09 0 3 0 39 215.252 2 ↓

Analogs

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Popular Name: (2R)-2-(2,5-dioxopyrrol-1-yl)-2-phenyl-propanoic (2R)-2-(2,5-dioxopyrrol-1-yl)-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) 1.06 7.31 -56.43 0 5 -1 79 244.226 3 ↓

Analogs

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Popular Name: (2S)-2-(2,5-dioxopyrrol-1-yl)-2-phenyl-propanoic (2S)-2-(2,5-dioxopyrrol-1-yl)-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) 1.06 7.32 -56.48 0 5 -1 79 244.226 3 ↓

Analogs

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Popular Name: (2S)-2-(3-methyl-2,5-dioxo-pyrrol-1-yl)-2-phenyl-propanoic (2S)-2-(3-methyl-2,5-dioxo-pyrro…

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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) 1.44 8 -55.97 0 5 -1 79 258.253 3 ↓

Analogs

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Popular Name: (2R)-2-(3-methyl-2,5-dioxo-pyrrol-1-yl)-2-phenyl-propanoic (2R)-2-(3-methyl-2,5-dioxo-pyrro…

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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) 1.44 8.01 -56.31 0 5 -1 79 258.253 3 ↓

Analogs

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Popular Name: 1-[[4-(2-aminoethyl)phenyl]methyl]pyrrole-2,5-dione 1-[[4-(2-aminoethyl)phenyl]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) 0.36 4.28 -50.74 3 4 1 67 231.275 4 ↓

Analogs

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Popular Name: 1-[[4-(2-aminoethyl)phenyl]methyl]-3-methyl-pyrrole-2,5-dione 1-[[4-(2-aminoethyl)phenyl]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) 0.74 4.97 -50.13 3 4 1 67 245.302 4 ↓

Analogs

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Popular Name: 1-[(3-nitrophenyl)methyl]pyrrole-2,5-dione 1-[(3-nitrophenyl)methyl]pyrrole…

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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 6.18 -12.05 0 6 0 85 232.195 3 ↓

Analogs

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Popular Name: 3-methyl-1-[(3-nitrophenyl)methyl]pyrrole-2,5-dione 3-methyl-1-[(3-nitrophenyl)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) 1.69 6.86 -11.23 0 6 0 85 246.222 3 ↓

Analogs

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Popular Name: 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione 1-[[2-(trifluoromethyl)phenyl]me…

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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 6.77 -10.43 0 3 0 39 255.195 3 ↓

Analogs

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Popular Name: 3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione 3-methyl-1-[[2-(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) 2.60 7.46 -9.36 0 3 0 39 269.222 3 ↓

Analogs

53158356
53158356

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Popular Name: 1-[(4-fluorophenyl)methyl]-3,4-dimethyl-pyrrole-2,5-dione 1-[(4-fluorophenyl)methyl]-3,4-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) 2.30 2.45 -6.63 0 3 0 39 233.242 2 ↓

Analogs

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Popular Name: 1-[(1R)-2-hydroxy-1-phenyl-ethyl]pyrrole-2,5-dione 1-[(1R)-2-hydroxy-1-phenyl-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) 0.74 4.48 -9.48 1 4 0 59 217.224 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-methyl-pyrrole-2,5-dione 1-[(1R)-2-hydroxy-1-phenyl-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) 1.11 5.26 -8.96 1 4 0 59 231.251 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-hydroxy-1-phenyl-ethyl]-3-methyl-pyrrole-2,5-dione 1-[(1S)-2-hydroxy-1-phenyl-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) 1.11 5.18 -8.88 1 4 0 59 231.251 3 ↓

Analogs

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Popular Name: 3-methyl-1-[(1S)-1-phenylethyl]pyrrole-2,5-dione 3-methyl-1-[(1S)-1-phenylethyl]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) 2.12 6.59 -7.96 0 3 0 39 215.252 2 ↓

Analogs

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Popular Name: 3-methyl-1-[(1R)-1-phenylethyl]pyrrole-2,5-dione 3-methyl-1-[(1R)-1-phenylethyl]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) 2.12 6.61 -7.95 0 3 0 39 215.252 2 ↓

Analogs

53158356
53158356

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Popular Name: 1-[(4-chlorophenyl)methyl]-3-methyl-pyrrole-2,5-dione 1-[(4-chlorophenyl)methyl]-3-met…

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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) 2.44 6.67 -6.51 0 3 0 39 235.67 2 ↓

Analogs

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Popular Name: 1-benzyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione 1-benzyl-3-methyl-2,5-dihydro-1H…

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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) 1.76 6.15 -7.24 0 3 0 39 201.225 2 ↓

Analogs

53158356
53158356

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Popular Name: 1-[(2-chlorophenyl)methyl]-3-methyl-pyrrole-2,5-dione 1-[(2-chlorophenyl)methyl]-3-met…

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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) 2.39 6.48 -7.39 0 3 0 39 235.67 2 ↓

Analogs

37999588
37999588

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Popular Name: 1-[(4-methoxyphenyl)methyl]-3-methyl-pyrrole-2,5-dione 1-[(4-methoxyphenyl)methyl]-3-me…

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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) 1.82 5.45 -8.12 0 4 0 48 231.251 3 ↓

Analogs

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Popular Name: 4-[(3-methyl-2,5-dioxo-pyrrol-1-yl)methyl]benzenesulfonamide 4-[(3-methyl-2,5-dioxo-pyrrol-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) 0.45 1.11 -13.84 2 6 0 99 280.305 3 ↓

Analogs

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Popular Name: 1-[(2-methoxyphenyl)methyl]-3-methyl-pyrrole-2,5-dione 1-[(2-methoxyphenyl)methyl]-3-me…

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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) 1.77 6.72 -8.45 0 4 0 48 231.251 3 ↓

Analogs

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Popular Name: 3-methyl-1-(p-tolylmethyl)pyrrole-2,5-dione 3-methyl-1-(p-tolylmethyl)pyrrol…

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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) 2.21 6.81 -7.26 0 3 0 39 215.252 2 ↓

Analogs

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Popular Name: 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione 3-methyl-1-[[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) 2.63 7.17 -7.75 0 3 0 39 269.222 3 ↓

Analogs

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Popular Name: (2S)-2-(3-methyl-2,5-dioxo-pyrrol-1-yl)-2-phenyl-acetic (2S)-2-(3-methyl-2,5-dioxo-pyrro…

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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) 0.99 7.29 -57.06 0 5 -1 79 244.226 3 ↓

Analogs

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Popular Name: (2R)-2-(3-methyl-2,5-dioxo-pyrrol-1-yl)-2-phenyl-acetic (2R)-2-(3-methyl-2,5-dioxo-pyrro…

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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) 0.99 7.37 -56.93 0 5 -1 79 244.226 3 ↓

Analogs

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Popular Name: (3S)-3-(3-methyl-2,5-dioxo-pyrrol-1-yl)-3-phenyl-propanoic (3S)-3-(3-methyl-2,5-dioxo-pyrro…

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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) 1.26 7.62 -54.4 0 5 -1 79 258.253 4 ↓

Analogs

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Popular Name: (3R)-3-(3-methyl-2,5-dioxo-pyrrol-1-yl)-3-phenyl-propanoic (3R)-3-(3-methyl-2,5-dioxo-pyrro…

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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) 1.26 7.73 -54.5 0 5 -1 79 258.253 4 ↓

Analogs

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Popular Name: 4-[(3-methyl-2,5-dioxo-pyrrol-1-yl)methyl]benzoic 4-[(3-methyl-2,5-dioxo-pyrrol-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) 1.67 6.72 -52.49 0 5 -1 79 244.226 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-pyrrole-2,5-dione 1-[(1S)-1-(2,4-dichlorophenyl)et…

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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) 3.41 7.47 -6.63 0 3 0 39 284.142 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-pyrrole-2,5-dione 1-[(1R)-1-(2,4-dichlorophenyl)et…

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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) 3.41 7.46 -6.64 0 3 0 39 284.142 2 ↓

Analogs

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Popular Name: 3-[(2,5-dioxopyrrol-1-yl)methyl]benzoic 3-[(2,5-dioxopyrrol-1-yl)methyl]…

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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) 1.27 6.02 -57.23 0 5 -1 79 230.199 3 ↓

Analogs

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Popular Name: 3-[(3-methyl-2,5-dioxo-pyrrol-1-yl)methyl]benzoic 3-[(3-methyl-2,5-dioxo-pyrrol-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) 1.65 6.71 -56.56 0 5 -1 79 244.226 3 ↓

Analogs

71164237
71164237

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Popular Name: 1-[(4-bromophenyl)methyl]-3-methyl-pyrrole-2,5-dione 1-[(4-bromophenyl)methyl]-3-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) 2.57 6.77 -6.46 0 3 0 39 280.121 2 ↓

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