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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-3-(o-tolylmethyl)pyrrolidine-2,5-dione (3R)-3-(o-tolylmethyl)pyrrolidin…

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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 4.1 -10.47 1 3 0 46 203.241 2 ↓
Hi High (pH 8-9.5) 1.63 1.55 -42.99 0 3 -1 52 202.233 2 ↓
Hi High (pH 8-9.5) 1.63 1.52 -43.07 0 3 -1 52 202.233 2 ↓

Analogs

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Popular Name: (3R)-3-[(2-fluorophenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(2-fluorophenyl)methyl]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) 1.16 3.62 -12.57 1 3 0 46 207.204 2 ↓
Hi High (pH 8-9.5) 1.35 1.12 -40.65 0 3 -1 52 206.196 2 ↓
Hi High (pH 8-9.5) 1.35 1.09 -47.61 0 3 -1 52 206.196 2 ↓

Analogs

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Popular Name: 3-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione 3-[(4-fluorophenyl)methyl]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) 1.21 3.69 -12 1 3 0 46 207.204 2 ↓
Hi High (pH 8-9.5) 1.40 1.14 -41.6 0 3 -1 52 206.196 2 ↓
Hi High (pH 8-9.5) 1.40 1.14 -41.61 0 3 -1 52 206.196 2 ↓

Analogs

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Popular Name: (3R)-3-[(4-ethylphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(4-ethylphenyl)methyl]py…

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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) 1.96 5.06 -10.11 1 3 0 46 217.268 3 ↓
Hi High (pH 8-9.5) 2.15 2.52 -43.06 0 3 -1 52 216.26 3 ↓
Hi High (pH 8-9.5) 2.15 2.52 -43.07 0 3 -1 52 216.26 3 ↓

Analogs

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Popular Name: (3R)-3-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(2,5-dimethylphenyl)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) 1.87 4.74 -10.57 1 3 0 46 217.268 2 ↓
Hi High (pH 8-9.5) 2.06 2.29 -43.5 0 3 -1 52 216.26 2 ↓
Hi High (pH 8-9.5) 2.06 2.2 -43.53 0 3 -1 52 216.26 2 ↓

Analogs

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Popular Name: (3R)-3-[(2,4-dimethylphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(2,4-dimethylphenyl)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) 1.87 4.76 -10.56 1 3 0 46 217.268 2 ↓
Hi High (pH 8-9.5) 2.06 2.22 -43.48 0 3 -1 52 216.26 2 ↓
Hi High (pH 8-9.5) 2.06 2.19 -43.5 0 3 -1 52 216.26 2 ↓

Analogs

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Popular Name: (3R)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(2-methoxyphenyl)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) 1.05 4.27 -10.42 1 4 0 55 219.24 3 ↓
Hi High (pH 8-9.5) 1.24 0.44 -43.22 0 4 -1 62 218.232 3 ↓
Hi High (pH 8-9.5) 1.24 1.73 -44.7 0 4 -1 62 218.232 3 ↓

Analogs

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Popular Name: 3-(3-Methoxybenzyl)pyrrolidine-2,5-dione 3-(3-Methoxybenzyl)pyrrolidine-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) 1.08 2.93 -13.25 1 4 0 55 219.24 3 ↓
Ref Reference (pH 7) 1.08 2.92 -10.8 1 4 0 55 219.24 3 ↓
Hi High (pH 8-9.5) 1.26 0.38 -47.33 0 4 -1 62 218.232 3 ↓

Analogs

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Popular Name: (3R)-3-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(4-methoxyphenyl)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) 1.10 2.93 -11.82 1 4 0 55 219.24 3 ↓
Hi High (pH 8-9.5) 1.29 0.38 -44.35 0 4 -1 62 218.232 3 ↓
Hi High (pH 8-9.5) 1.29 0.38 -43.17 0 4 -1 62 218.232 3 ↓

Analogs

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Popular Name: (3R)-3-[(4-isopropylphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(4-isopropylphenyl)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) 2.56 5.56 -9.94 1 3 0 46 231.295 3 ↓
Hi High (pH 8-9.5) 2.74 3.01 -43.04 0 3 -1 52 230.287 3 ↓
Hi High (pH 8-9.5) 2.74 3.01 -43.04 0 3 -1 52 230.287 3 ↓

Analogs

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Popular Name: (3R)-3-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(2,4,6-trimethylphenyl)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) 2.25 5.08 -10.36 1 3 0 46 231.295 2 ↓
Hi High (pH 8-9.5) 2.43 2.53 -42.65 0 3 -1 52 230.287 2 ↓
Hi High (pH 8-9.5) 2.43 2.53 -42.64 0 3 -1 52 230.287 2 ↓

Analogs

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Popular Name: (3R)-3-[(4-methoxy-3-methyl-phenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(4-methoxy-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) 1.48 3.67 -12.23 1 4 0 55 233.267 3 ↓
Hi High (pH 8-9.5) 1.66 1.12 -44.33 0 4 -1 62 232.259 3 ↓
Hi High (pH 8-9.5) 1.66 1.12 -43.51 0 4 -1 62 232.259 3 ↓

Analogs

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Popular Name: (3R)-3-[(3-fluoro-4-methoxy-phenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(3-fluoro-4-methoxy-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) 1.20 3 -13.09 1 4 0 55 237.23 3 ↓
Hi High (pH 8-9.5) 1.38 0.45 -41.72 0 4 -1 62 236.222 3 ↓
Hi High (pH 8-9.5) 1.38 0.45 -48.24 0 4 -1 62 236.222 3 ↓

Analogs

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Popular Name: (3R)-3-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(4-tert-butylphenyl)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) 2.75 5.95 -9.9 1 3 0 46 245.322 3 ↓
Hi High (pH 8-9.5) 2.94 3.4 -43.14 0 3 -1 52 244.314 3 ↓
Hi High (pH 8-9.5) 2.94 3.4 -43.08 0 3 -1 52 244.314 3 ↓

Analogs

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Popular Name: (3R)-3-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(3,4-dimethoxyphenyl)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) 0.69 2.82 -14.48 1 5 0 65 249.266 4 ↓
Hi High (pH 8-9.5) 0.88 0.27 -44.57 0 5 -1 71 248.258 4 ↓
Hi High (pH 8-9.5) 0.88 0.28 -46.3 0 5 -1 71 248.258 4 ↓

Analogs

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Popular Name: (3R)-3-[(2,5-dimethoxyphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(2,5-dimethoxyphenyl)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) 1.09 3.54 -10.91 1 5 0 65 249.266 4 ↓
Hi High (pH 8-9.5) 1.27 1 -44.61 0 5 -1 71 248.258 4 ↓
Hi High (pH 8-9.5) 1.27 -0.27 -46.89 0 5 -1 71 248.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2,4-dimethoxyphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(2,4-dimethoxyphenyl)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) 1.09 3.57 -12.65 1 5 0 65 249.266 4 ↓
Hi High (pH 8-9.5) 1.27 1.02 -46.23 0 5 -1 71 248.258 4 ↓
Hi High (pH 8-9.5) 1.27 -0.26 -43.13 0 5 -1 71 248.258 4 ↓

Analogs

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Popular Name: (3R)-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(4-bromophenyl)methyl]py…

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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) 1.86 4.25 -11.08 1 3 0 46 268.11 2 ↓
Hi High (pH 8-9.5) 2.04 1.7 -41.11 0 3 -1 52 267.102 2 ↓
Hi High (pH 8-9.5) 2.04 1.7 -41.1 0 3 -1 52 267.102 2 ↓

Analogs

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Popular Name: (3R)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2,5-dione (3R)-3-[(3,4,5-trimethoxyphenyl)…

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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) 0.68 2.75 -17.11 1 6 0 74 279.292 5 ↓
Hi High (pH 8-9.5) 0.86 0.2 -46.1 0 6 -1 80 278.284 5 ↓
Hi High (pH 8-9.5) 0.86 0.2 -46.08 0 6 -1 80 278.284 5 ↓

Analogs

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Popular Name: (3R)-3-[4-(5-methylhexoxy)benzyl]pyrrolidine-2,5-quinone (3R)-3-[4-(5-methylhexoxy)benzyl…

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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) 3.53 7.5 -12.02 1 4 0 55 303.402 8 ↓
Ref Reference (pH 7) 3.53 7.49 -11.31 1 4 0 55 303.402 8 ↓
Hi High (pH 8-9.5) 3.72 4.95 -43.72 0 4 -1 62 302.394 8 ↓

Analogs

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Popular Name: [(3S)-3-benzyl-2,5-dioxo-pyrrolidin-1-yl] [(3S)-3-benzyl-2,5-dioxo-pyrroli…

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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) 0.63 5.22 -23.9 0 7 0 84 312.347 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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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 = 175185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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