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

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1S,2R,4R)-2,4-dimethyl…

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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) 0.80 3.14 -45.42 3 4 1 63 225.312 2 ↓
Mid Mid (pH 6-8) 0.98 0.59 -36.95 2 4 0 69 224.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1S,2R,4S)-2,4-dimethyl…

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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) 0.80 2.72 -48.88 3 4 1 63 225.312 2 ↓
Mid Mid (pH 6-8) 0.98 0.19 -40.69 2 4 0 69 224.304 2 ↓

Analogs

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Popular Name: (3R)-3-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1R,2R,4R)-2,4-dimethyl…

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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) 0.80 2.83 -47.66 3 4 1 63 225.312 2 ↓
Mid Mid (pH 6-8) 0.98 0.31 -38.58 2 4 0 69 224.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1R,2R,4S)-2,4-dimethyl…

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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) 0.80 2.63 -47.79 3 4 1 63 225.312 2 ↓
Mid Mid (pH 6-8) 0.98 0.11 -38.43 2 4 0 69 224.304 2 ↓

Analogs

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Popular Name: (3S)-3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[[(1R,2S,4S)-2,4-dimethyl…

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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) 1.92 7.09 -45.46 2 4 1 54 267.393 4 ↓
Mid Mid (pH 6-8) 1.92 6.46 -7.55 1 4 0 49 266.385 4 ↓
Mid Mid (pH 6-8) 1.92 6.46 -5.79 1 4 0 49 266.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[[(1S,2S,4S)-2,4-dimethyl…

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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) 1.92 6.99 -48.26 2 4 1 54 267.393 4 ↓
Mid Mid (pH 6-8) 1.92 6.09 -8.18 1 4 0 49 266.385 4 ↓
Mid Mid (pH 6-8) 1.92 6.09 -5.82 1 4 0 49 266.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-1-methyl-pyrrolidine-2,5-dione (3R)-3-[[(1S,2R,4R)-2,4-dimethyl…

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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) 1.04 5.44 -44.74 2 4 1 54 239.339 2 ↓
Mid Mid (pH 6-8) 1.04 4.71 -6.14 1 4 0 49 238.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-1-methyl-pyrrolidine-2,5-dione (3R)-3-[[(1S,2R,4S)-2,4-dimethyl…

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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) 1.04 5.03 -48.31 2 4 1 54 239.339 2 ↓
Mid Mid (pH 6-8) 1.04 4.08 -6.46 1 4 0 49 238.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-1-methyl-pyrrolidine-2,5-dione (3R)-3-[[(1R,2R,4R)-2,4-dimethyl…

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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) 1.04 5.13 -47.03 2 4 1 54 239.339 2 ↓
Mid Mid (pH 6-8) 1.04 4.36 -6.13 1 4 0 49 238.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-1-methyl-pyrrolidine-2,5-dione (3R)-3-[[(1R,2R,4S)-2,4-dimethyl…

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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) 1.04 4.92 -47.19 2 4 1 54 239.339 2 ↓
Mid Mid (pH 6-8) 1.04 4.13 -6.15 1 4 0 49 238.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-[(1R)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[[(1R,2S,4S)-2,4-dimethyl…

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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 7.95 -44.75 2 4 1 54 281.42 4 ↓
Mid Mid (pH 6-8) 2.25 7.32 -6.91 1 4 0 49 280.412 4 ↓
Mid Mid (pH 6-8) 2.25 7.33 -5.23 1 4 0 49 280.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-[(1S)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[[(1R,2S,4S)-2,4-dimethyl…

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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 7.95 -44.6 2 4 1 54 281.42 4 ↓
Mid Mid (pH 6-8) 2.25 7.32 -6.96 1 4 0 49 280.412 4 ↓
Mid Mid (pH 6-8) 2.25 7.33 -5.2 1 4 0 49 280.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-(1-ethylpropyl)pyrrolidine-2,5-dione (3S)-3-[[(1R,2S,4S)-2,4-dimethyl…

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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 9.03 -44.52 2 4 1 54 295.447 5 ↓
Mid Mid (pH 6-8) 2.79 8.4 -6.62 1 4 0 49 294.439 5 ↓
Mid Mid (pH 6-8) 2.79 8.41 -4.95 1 4 0 49 294.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-(1-ethylpropyl)pyrrolidine-2,5-dione (3S)-3-[[(1S,2S,4S)-2,4-dimethyl…

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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 8.93 -47.26 2 4 1 54 295.447 5 ↓
Mid Mid (pH 6-8) 2.79 8.03 -7.28 1 4 0 49 294.439 5 ↓
Mid Mid (pH 6-8) 2.79 8.03 -5.02 1 4 0 49 294.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3R)-3-[[(1S,2R,4R)-2,4-dimethyl…

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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) 1.72 6.99 -43.85 2 4 1 54 267.393 3 ↓
Mid Mid (pH 6-8) 1.72 6.26 -5.49 1 4 0 49 266.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3R)-3-[[(1S,2R,4S)-2,4-dimethyl…

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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) 1.72 6.58 -47.35 2 4 1 54 267.393 3 ↓
Mid Mid (pH 6-8) 1.72 5.63 -5.77 1 4 0 49 266.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3R)-3-[[(1R,2R,4R)-2,4-dimethyl…

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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) 1.72 6.68 -46.07 2 4 1 54 267.393 3 ↓
Mid Mid (pH 6-8) 1.72 5.91 -5.46 1 4 0 49 266.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3R)-3-[[(1R,2R,4S)-2,4-dimethyl…

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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) 1.72 6.47 -46.14 2 4 1 54 267.393 3 ↓
Mid Mid (pH 6-8) 1.72 5.68 -5.49 1 4 0 49 266.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-ethyl-pyrrolidine-2,5-dione (3S)-3-[[(1R,2S,4S)-2,4-dimethyl…

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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) 1.42 6.33 -45.43 2 4 1 54 253.366 3 ↓
Mid Mid (pH 6-8) 1.42 5.7 -7.68 1 4 0 49 252.358 3 ↓
Mid Mid (pH 6-8) 1.42 5.7 -5.89 1 4 0 49 252.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-ethyl-pyrrolidine-2,5-dione (3S)-3-[[(1S,2S,4S)-2,4-dimethyl…

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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) 1.42 6.23 -48.15 2 4 1 54 253.366 3 ↓
Mid Mid (pH 6-8) 1.42 5.33 -8.26 1 4 0 49 252.358 3 ↓
Mid Mid (pH 6-8) 1.42 5.33 -5.91 1 4 0 49 252.358 3 ↓

Analogs

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Popular Name: (3R)-1-methyl-3-[(4-propylcyclohexyl)amino]pyrrolidine-2,5-dione (3R)-1-methyl-3-[(4-propylcycloh…

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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) 1.81 5.98 -49.76 2 4 1 54 253.366 4 ↓
Hi High (pH 8-9.5) 1.81 4.88 -8.51 1 4 0 49 252.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-3-[(4-propylcyclohexyl)amino]pyrrolidine-2,5-dione (3R)-1-ethyl-3-[(4-propylcyclohe…

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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) 2.19 6.96 -49.46 2 4 1 54 267.393 5 ↓
Hi High (pH 8-9.5) 2.19 5.86 -8.28 1 4 0 49 266.385 5 ↓

Analogs

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Popular Name: (3R)-1-propyl-3-[(4-propylcyclohexyl)amino]pyrrolidine-2,5-dione (3R)-1-propyl-3-[(4-propylcycloh…

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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) 2.69 7.85 -47.7 2 4 1 54 281.42 6 ↓
Hi High (pH 8-9.5) 2.69 7.18 -7.89 1 4 0 49 280.412 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-isopropyl-3-[(4-propylcyclohexyl)amino]pyrrolidine-2,5-dione (3R)-1-isopropyl-3-[(4-propylcyc…

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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 7.66 -47 2 4 1 54 281.42 5 ↓
Hi High (pH 8-9.5) 2.48 6.99 -7.58 1 4 0 49 280.412 5 ↓

Analogs

42577614
42577614

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Popular Name: (3R)-3-[(4-propylcyclohexyl)amino]pyrrolidine-2,5-dione (3R)-3-[(4-propylcyclohexyl)amin…

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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) 1.57 3.88 -47.37 3 4 1 63 239.339 4 ↓
Mid Mid (pH 6-8) 1.75 1.13 -42.57 2 4 0 69 238.331 4 ↓

Parameters Provided:

ring.id = 392101
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 = 392101 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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