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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: 1-[(1S)-1-cyclopentylethyl]-2,5-dimethyl-pyrrole-3-carbaldehyde 1-[(1S)-1-cyclopentylethyl]-2,5-…

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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) 3.23 8.62 -9.53 0 2 0 22 219.328 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-2,5-dimethyl-pyrrole-3-carbaldehyde 1-[(1R)-1-cyclopentylethyl]-2,5-…

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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) 3.23 8.54 -9.44 0 2 0 22 219.328 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]pyrrole-2-carbaldehyde 1-[(1S)-1-cyclopentylethyl]pyrro…

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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) 3.10 7.74 -6.92 0 2 0 22 191.274 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]pyrrole-2-carbaldehyde 1-[(1R)-1-cyclopentylethyl]pyrro…

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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) 3.10 7.63 -6.9 0 2 0 22 191.274 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]pyrrole-2-carboxylic 1-[(1S)-1-cyclopentylethyl]pyrro…

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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) 2.88 8.56 -52.43 0 3 -1 45 206.265 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]pyrrole-2-carboxylic 1-[(1R)-1-cyclopentylethyl]pyrro…

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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) 2.88 8.49 -52.24 0 3 -1 45 206.265 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]pyrrole 1-[(1S)-1-cyclopentylethyl]pyrrole

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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) 3.07 8.28 -2.67 0 1 0 5 163.264 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]pyrrole 1-[(1R)-1-cyclopentylethyl]pyrrole

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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) 3.07 8.17 -2.65 0 1 0 5 163.264 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-2,5-dimethyl-pyrrole 1-[(1S)-1-cyclopentylethyl]-2,5-…

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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) 3.51 8.77 -3.43 0 1 0 5 191.318 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-2,5-dimethyl-pyrrole 1-[(1R)-1-cyclopentylethyl]-2,5-…

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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) 3.51 8.96 -3.35 0 1 0 5 191.318 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-2,5-dimethyl-pyrrole-3-carboxylic 1-[(1S)-1-cyclopentylethyl]-2,5-…

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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) 3.01 9.38 -58.04 0 3 -1 45 234.319 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-2,5-dimethyl-pyrrole-3-carboxylic 1-[(1R)-1-cyclopentylethyl]-2,5-…

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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) 3.01 9.35 -57.8 0 3 -1 45 234.319 3 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[1-[(1S)-1-cyclopentylethyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-[(1S)-1-cyclo…

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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) 3.93 10.45 -5.35 0 2 0 22 281.827 4 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[1-[(1R)-1-cyclopentylethyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-[(1R)-1-cyclo…

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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) 3.93 10.41 -5.41 0 2 0 22 281.827 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-1-[1-[(1S)-1-cyclopentylethyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-[(1S)-1-cyclo…

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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) 3.93 10.75 -6.98 0 2 0 22 281.827 4 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[1-[(1R)-1-cyclopentylethyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-[(1R)-1-cyclo…

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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) 3.93 10.67 -7.07 0 2 0 22 281.827 4 ↓

Analogs

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Popular Name: 2-chloro-1-[1-[(1S)-1-cyclopentylethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-[(1S)-1-cyclopenty…

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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) 3.57 10.09 -7.24 0 2 0 22 267.8 4 ↓

Analogs

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Popular Name: 2-chloro-1-[1-[(1R)-1-cyclopentylethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-[(1R)-1-cyclopenty…

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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) 3.57 10.02 -7.25 0 2 0 22 267.8 4 ↓

Analogs

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Popular Name: 2-amino-1-[(1S)-1-cyclopentylethyl]-4,5-dimethyl-pyrrole-3-carbonitrile 2-amino-1-[(1S)-1-cyclopentyleth…

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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) 2.95 8.65 -7.74 2 3 0 55 231.343 2 ↓

Analogs

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Popular Name: 2-amino-1-[(1R)-1-cyclopentylethyl]-4,5-dimethyl-pyrrole-3-carbonitrile 2-amino-1-[(1R)-1-cyclopentyleth…

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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) 2.95 8.55 -7.68 2 3 0 55 231.343 2 ↓

Analogs

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Popular Name: methyl 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) 2.19 6.04 -7.37 2 4 0 57 222.288 4 ↓

Parameters Provided:

ring.id = 464207
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 = 464207 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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