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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: 3-cyclopentyl-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]propan-1-one 3-cyclopentyl-1-[(2S,6R)-2,6-dim…

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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) 1.94 6.23 -48.1 2 3 1 37 239.383 3 ↓
Mid Mid (pH 6-8) 1.94 4.9 -6.51 1 3 0 32 238.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentyl-1-[(2S,6S)-2,6-dimethylpiperazin-1-yl]propan-1-one 3-cyclopentyl-1-[(2S,6S)-2,6-dim…

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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) 1.94 6.77 -47.97 2 3 1 37 239.383 3 ↓
Mid Mid (pH 6-8) 1.94 5.45 -6.12 1 3 0 32 238.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentyl-1-[(2R,6R)-2,6-dimethylpiperazin-1-yl]propan-1-one 3-cyclopentyl-1-[(2R,6R)-2,6-dim…

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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) 1.94 6.81 -47.36 2 3 1 37 239.383 3 ↓
Mid Mid (pH 6-8) 1.94 5.46 -6.06 1 3 0 32 238.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentyl-1-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]propan-1-one 3-cyclopentyl-1-[4-(2-hydroxy-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) 2.06 5.22 -7.43 1 4 0 44 282.428 5 ↓
Lo Low (pH 4.5-6) 2.06 6.98 -42.59 2 4 1 45 283.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentyl-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]propan-1-one 3-cyclopentyl-1-[4-[(2S)-2-hydro…

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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) 2.11 4.41 -8.93 1 4 0 44 282.428 6 ↓
Lo Low (pH 4.5-6) 2.11 6.68 -45.67 2 4 1 45 283.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentyl-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one 3-cyclopentyl-1-[4-[(2R)-2-hydro…

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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) 2.11 4.5 -8.15 1 4 0 44 282.428 6 ↓
Lo Low (pH 4.5-6) 2.11 6.74 -44.32 2 4 1 45 283.436 6 ↓

Analogs

37808958
37808958
37808960
37808960

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-cyclopentylpropanoyl)-N,N-diethyl-piperazine-1-sulfonamide 4-(3-cyclopentylpropanoyl)-N,N-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) 2.01 6.25 -13.72 0 6 0 61 345.509 7 ↓

Parameters Provided:

ring.id = 258439
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 = 258439 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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