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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: (3S)-3-[[(1S)-1-cyclohexylethyl]amino]-1-(1-ethylpropyl)pyrrolidine-2,5-dione (3S)-3-[[(1S)-1-cyclohexylethyl]…

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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 8.98 -47.38 2 4 1 54 295.447 6 ↓
Hi High (pH 8-9.5) 3.25 8.07 -7.25 1 4 0 49 294.439 6 ↓

Analogs

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Popular Name: (3S)-3-[[(1R)-1-cyclohexylethyl]amino]-1-(1-ethylpropyl)pyrrolidine-2,5-dione (3S)-3-[[(1R)-1-cyclohexylethyl]…

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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 8.74 -47.66 2 4 1 54 295.447 6 ↓
Hi High (pH 8-9.5) 3.25 7.88 -6.62 1 4 0 49 294.439 6 ↓

Analogs

42577498
42577498
42577501
42577501
42577507
42577507

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-1-cyclohexylethyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1S)-1-cyclohexylethyl]…

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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 2.89 -49.14 3 4 1 63 225.312 3 ↓
Mid Mid (pH 6-8) 1.45 0.36 -40.82 2 4 0 69 224.304 3 ↓
Mid Mid (pH 6-8) 1.45 0.39 -39.77 2 4 0 69 224.304 3 ↓

Analogs

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Popular Name: (3R)-3-[[(1R)-1-cyclohexylethyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1R)-1-cyclohexylethyl]…

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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 2.91 -48.57 3 4 1 63 225.312 3 ↓
Mid Mid (pH 6-8) 1.45 0.39 -39.79 2 4 0 69 224.304 3 ↓
Mid Mid (pH 6-8) 1.45 0.43 -41.7 2 4 0 69 224.304 3 ↓

Analogs

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Popular Name: (3S)-3-[[(1S)-1-cyclohexylethyl]amino]-1-[(1R)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[[(1S)-1-cyclohexylethyl]…

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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 7.82 -47.5 2 4 1 54 281.42 5 ↓
Hi High (pH 8-9.5) 2.72 6.82 -7.73 1 4 0 49 280.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S)-1-cyclohexylethyl]amino]-1-[(1S)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[[(1S)-1-cyclohexylethyl]…

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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 7.82 -47.36 2 4 1 54 281.42 5 ↓
Hi High (pH 8-9.5) 2.72 6.82 -7.74 1 4 0 49 280.412 5 ↓

Analogs

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Popular Name: (3S)-3-[[(1S)-1-cyclohexylethyl]amino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[[(1S)-1-cyclohexylethyl]…

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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 6.96 -48.25 2 4 1 54 267.393 5 ↓
Hi High (pH 8-9.5) 2.39 5.96 -8.38 1 4 0 49 266.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R)-1-cyclohexylethyl]amino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[[(1R)-1-cyclohexylethyl]…

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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 6.8 -48.5 2 4 1 54 267.393 5 ↓
Hi High (pH 8-9.5) 2.39 5.94 -7.6 1 4 0 49 266.385 5 ↓

Analogs

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Popular Name: (3S)-3-[[(1S)-1-cyclohexylethyl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3S)-3-[[(1S)-1-cyclohexylethyl]…

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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 6.75 -47.65 2 4 1 54 267.393 4 ↓
Hi High (pH 8-9.5) 2.18 5.79 -5.78 1 4 0 49 266.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R)-1-cyclohexylethyl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3S)-3-[[(1R)-1-cyclohexylethyl]…

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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 6.75 -47.03 2 4 1 54 267.393 4 ↓
Hi High (pH 8-9.5) 2.18 5.96 -5.69 1 4 0 49 266.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-1-cyclohexylethyl]amino]-1-methyl-pyrrolidine-2,5-dione (3R)-3-[[(1S)-1-cyclohexylethyl]…

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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) 1.51 5.14 -48.78 2 4 1 54 239.339 3 ↓
Hi High (pH 8-9.5) 1.51 4.24 -8.1 1 4 0 49 238.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R)-1-cyclohexylethyl]amino]-1-methyl-pyrrolidine-2,5-dione (3R)-3-[[(1R)-1-cyclohexylethyl]…

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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) 1.51 5.27 -48.72 2 4 1 54 239.339 3 ↓
Hi High (pH 8-9.5) 1.51 4.37 -8.51 1 4 0 49 238.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S)-1-cyclohexylethyl]amino]-1-ethyl-pyrrolidine-2,5-dione (3S)-3-[[(1S)-1-cyclohexylethyl]…

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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) 1.88 6.2 -48.1 2 4 1 54 253.366 4 ↓
Hi High (pH 8-9.5) 1.88 5.2 -8.53 1 4 0 49 252.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R)-1-cyclohexylethyl]amino]-1-ethyl-pyrrolidine-2,5-dione (3S)-3-[[(1R)-1-cyclohexylethyl]…

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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) 1.88 6.15 -47.48 2 4 1 54 253.366 4 ↓
Hi High (pH 8-9.5) 1.88 5.2 -7.59 1 4 0 49 252.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-1-cyclohexylpropyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1S)-1-cyclohexylpropyl…

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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 3.47 -49.74 3 4 1 63 239.339 4 ↓
Mid Mid (pH 6-8) 1.98 0.99 -40.54 2 4 0 69 238.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R)-1-cyclohexylpropyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1R)-1-cyclohexylpropyl…

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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 3.35 -47.82 3 4 1 63 239.339 4 ↓
Mid Mid (pH 6-8) 1.98 0.83 -40.66 2 4 0 69 238.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S)-1-cyclohexylpropyl]amino]-1-[(1R)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[[(1S)-1-cyclohexylpropyl…

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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 8.44 -47.03 2 4 1 54 295.447 6 ↓
Hi High (pH 8-9.5) 3.25 7.64 -7.72 1 4 0 49 294.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S)-1-cyclohexylpropyl]amino]-1-[(1S)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[[(1S)-1-cyclohexylpropyl…

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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 8.44 -46.87 2 4 1 54 295.447 6 ↓
Hi High (pH 8-9.5) 3.25 7.64 -7.71 1 4 0 49 294.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S)-1-cyclohexylpropyl]amino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[[(1S)-1-cyclohexylpropyl…

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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 7.58 -47.73 2 4 1 54 281.42 6 ↓
Hi High (pH 8-9.5) 2.92 6.78 -8.37 1 4 0 49 280.412 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R)-1-cyclohexylpropyl]amino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[[(1R)-1-cyclohexylpropyl…

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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 7.24 -46.26 2 4 1 54 281.42 6 ↓
Hi High (pH 8-9.5) 2.92 6.74 -7.65 1 4 0 49 280.412 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-1-cyclohexylpropyl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3R)-3-[[(1S)-1-cyclohexylpropyl…

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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 7.5 -46.49 2 4 1 54 281.42 5 ↓
Hi High (pH 8-9.5) 2.72 6.56 -7.38 1 4 0 49 280.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R)-1-cyclohexylpropyl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3R)-3-[[(1R)-1-cyclohexylpropyl…

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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 7.15 -48.76 2 4 1 54 281.42 5 ↓
Hi High (pH 8-9.5) 2.72 6.36 -8.02 1 4 0 49 280.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-1-cyclohexylpropyl]amino]-1-methyl-pyrrolidine-2,5-dione (3R)-3-[[(1S)-1-cyclohexylpropyl…

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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) 2.04 5.95 -47.43 2 4 1 54 253.366 4 ↓
Hi High (pH 8-9.5) 2.04 5.01 -8.03 1 4 0 49 252.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R)-1-cyclohexylpropyl]amino]-1-methyl-pyrrolidine-2,5-dione (3R)-3-[[(1R)-1-cyclohexylpropyl…

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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) 2.04 5.97 -47.13 2 4 1 54 253.366 4 ↓
Hi High (pH 8-9.5) 2.04 5.03 -8.03 1 4 0 49 252.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-1-cyclohexylpropyl]amino]-1-ethyl-pyrrolidine-2,5-dione (3R)-3-[[(1S)-1-cyclohexylpropyl…

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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) 2.42 6.94 -47.04 2 4 1 54 267.393 5 ↓
Hi High (pH 8-9.5) 2.42 5.99 -7.8 1 4 0 49 266.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R)-1-cyclohexylpropyl]amino]-1-ethyl-pyrrolidine-2,5-dione (3R)-3-[[(1R)-1-cyclohexylpropyl…

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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) 2.42 6.96 -46.58 2 4 1 54 267.393 5 ↓
Hi High (pH 8-9.5) 2.42 6.01 -7.72 1 4 0 49 266.385 5 ↓

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ring.id = 221181
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 221181 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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