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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)-3-(2-furyl)-1-methyl-propyl]-2,5-dimethyl-pyrrole-3-carboxylic 1-[(1S)-3-(2-furyl)-1-methyl-pro…

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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) 2.56 9.31 -59.79 0 4 -1 58 260.313 5 ↓

Analogs

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Popular Name: 1-[(1R)-3-(2-furyl)-1-methyl-propyl]-2,5-dimethyl-pyrrole-3-carboxylic 1-[(1R)-3-(2-furyl)-1-methyl-pro…

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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) 2.56 9.34 -60.74 0 4 -1 58 260.313 5 ↓

Analogs

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Popular Name: 1-[(1S)-3-(2-furyl)-1-methyl-propyl]-2,5-dimethyl-pyrrole-3-carbaldehyde 1-[(1S)-3-(2-furyl)-1-methyl-pro…

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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) 2.78 8.5 -13.11 0 3 0 35 245.322 5 ↓

Analogs

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Popular Name: 1-[(1R)-3-(2-furyl)-1-methyl-propyl]-2,5-dimethyl-pyrrole-3-carbaldehyde 1-[(1R)-3-(2-furyl)-1-methyl-pro…

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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) 2.78 8.52 -13.07 0 3 0 35 245.322 5 ↓

Analogs

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

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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) 3.12 9.98 -10.27 0 3 0 35 293.794 6 ↓

Analogs

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

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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) 3.12 10.02 -10.83 0 3 0 35 293.794 6 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[1-[(1S)-3-(2-furyl)-1-methyl-propyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-[(1S)-3-(2-fu…

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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) 3.48 10.38 -8.38 0 3 0 35 307.821 6 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[1-[(1R)-3-(2-furyl)-1-methyl-propyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-[(1R)-3-(2-fu…

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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) 3.48 10.42 -8.81 0 3 0 35 307.821 6 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[1-[(1S)-3-(2-furyl)-1-methyl-propyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-[(1S)-3-(2-fu…

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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) 3.48 10.64 -9.91 0 3 0 35 307.821 6 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[1-[(1R)-3-(2-furyl)-1-methyl-propyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-[(1R)-3-(2-fu…

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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) 3.48 10.68 -10.51 0 3 0 35 307.821 6 ↓

Analogs

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Popular Name: 2-amino-1-[(1S)-3-(2-furyl)-1-methyl-propyl]-4,5-dimethyl-pyrrole-3-carbonitrile 2-amino-1-[(1S)-3-(2-furyl)-1-me…

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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) 2.50 8.5 -11.2 2 4 0 68 257.337 4 ↓

Analogs

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Popular Name: 2-amino-1-[(1R)-3-(2-furyl)-1-methyl-propyl]-4,5-dimethyl-pyrrole-3-carbonitrile 2-amino-1-[(1R)-3-(2-furyl)-1-me…

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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) 2.50 8.5 -11.37 2 4 0 68 257.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-3-(2-furyl)-1-methyl-propyl]-2,5-dimethyl-pyrrole 1-[(1S)-3-(2-furyl)-1-methyl-pro…

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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) 3.06 8.85 -6.65 0 2 0 18 217.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-3-(2-furyl)-1-methyl-propyl]-2,5-dimethyl-pyrrole 1-[(1R)-3-(2-furyl)-1-methyl-pro…

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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) 3.06 8.85 -6.87 0 2 0 18 217.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-3-(2-furyl)-1-methyl-propyl]pyrrole 1-[(1S)-3-(2-furyl)-1-methyl-pro…

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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) 2.62 8.13 -6.07 0 2 0 18 189.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-3-(2-furyl)-1-methyl-propyl]pyrrole 1-[(1R)-3-(2-furyl)-1-methyl-pro…

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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) 2.62 8.13 -6.2 0 2 0 18 189.258 4 ↓

Parameters Provided:

ring.id = 588403
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 = 588403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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