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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-[[(1S)-1-cyclopentylethyl]amino]-1-methyl-pyrrolidine-2,5-dione (3R)-3-[[(1S)-1-cyclopentylethyl…

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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) 1.00 4.65 -48.17 2 4 1 54 225.312 3 ↓
Mid Mid (pH 6-8) 1.00 3.49 -8.05 1 4 0 49 224.304 3 ↓
Mid Mid (pH 6-8) 1.00 3.53 -6.38 1 4 0 49 224.304 3 ↓

Analogs

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

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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) 1.00 4.51 -47.43 2 4 1 54 225.312 3 ↓
Mid Mid (pH 6-8) 1.00 3.57 -8.53 1 4 0 49 224.304 3 ↓
Mid Mid (pH 6-8) 1.00 3.6 -6.38 1 4 0 49 224.304 3 ↓

Analogs

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

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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) 0.76 2.26 -48.34 3 4 1 63 211.285 3 ↓
Mid Mid (pH 6-8) 0.94 -0.25 -39.85 2 4 0 69 210.277 3 ↓
Mid Mid (pH 6-8) 0.94 -0.19 -41.85 2 4 0 69 210.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.76 2.29 -48.87 3 4 1 63 211.285 3 ↓
Mid Mid (pH 6-8) 0.94 -0.25 -41.94 2 4 0 69 210.277 3 ↓
Mid Mid (pH 6-8) 0.94 -0.3 -39.65 2 4 0 69 210.277 3 ↓

Analogs

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

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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 6.41 -47.74 2 4 1 54 253.366 5 ↓
Mid Mid (pH 6-8) 1.88 5.56 -8.16 1 4 0 49 252.358 5 ↓
Mid Mid (pH 6-8) 1.88 5.23 -6.05 1 4 0 49 252.358 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.24 -47.14 2 4 1 54 253.366 5 ↓
Mid Mid (pH 6-8) 1.88 5.22 -7.49 1 4 0 49 252.358 5 ↓
Mid Mid (pH 6-8) 1.88 5.25 -5.93 1 4 0 49 252.358 5 ↓

Analogs

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

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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 7.27 -47.04 2 4 1 54 267.393 5 ↓
Mid Mid (pH 6-8) 2.21 6.42 -7.44 1 4 0 49 266.385 5 ↓
Mid Mid (pH 6-8) 2.21 6.09 -5.53 1 4 0 49 266.385 5 ↓

Analogs

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

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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 7.27 -46.87 2 4 1 54 267.393 5 ↓
Mid Mid (pH 6-8) 2.21 6.42 -7.54 1 4 0 49 266.385 5 ↓
Mid Mid (pH 6-8) 2.21 6.09 -5.6 1 4 0 49 266.385 5 ↓

Analogs

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

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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 8.35 -46.81 2 4 1 54 281.42 6 ↓
Mid Mid (pH 6-8) 2.75 7.5 -7.24 1 4 0 49 280.412 6 ↓
Mid Mid (pH 6-8) 2.75 7.17 -5.32 1 4 0 49 280.412 6 ↓

Analogs

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

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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 8.18 -46.23 2 4 1 54 281.42 6 ↓
Mid Mid (pH 6-8) 2.75 7.16 -6.6 1 4 0 49 280.412 6 ↓
Mid Mid (pH 6-8) 2.75 7.2 -5.1 1 4 0 49 280.412 6 ↓

Analogs

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

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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) 1.68 6.2 -47.08 2 4 1 54 253.366 4 ↓
Mid Mid (pH 6-8) 1.68 5.08 -5.66 1 4 0 49 252.358 4 ↓
Mid Mid (pH 6-8) 1.68 5.04 -7.34 1 4 0 49 252.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.68 6.06 -46.41 2 4 1 54 253.366 4 ↓
Mid Mid (pH 6-8) 1.68 5.15 -5.69 1 4 0 49 252.358 4 ↓
Mid Mid (pH 6-8) 1.68 5.12 -7.79 1 4 0 49 252.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.38 5.65 -47.58 2 4 1 54 239.339 4 ↓
Mid Mid (pH 6-8) 1.38 4.8 -8.27 1 4 0 49 238.331 4 ↓
Mid Mid (pH 6-8) 1.38 4.47 -6.2 1 4 0 49 238.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.38 5.48 -47.01 2 4 1 54 239.339 4 ↓
Mid Mid (pH 6-8) 1.38 4.46 -7.61 1 4 0 49 238.331 4 ↓
Mid Mid (pH 6-8) 1.38 4.49 -6.07 1 4 0 49 238.331 4 ↓

Parameters Provided:

ring.id = 464022
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 = 464022 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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