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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: 2-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]ethanamine 2-[1-[[(2S)-tetrahydrofuran-2-yl…

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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) 0.52 3.76 -50.69 3 3 1 42 195.286 4 ↓

Analogs

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Popular Name: 2-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]ethanamine 2-[1-[[(2R)-tetrahydrofuran-2-yl…

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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) 0.52 3.89 -51.44 3 3 1 42 195.286 4 ↓

Analogs

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Popular Name: 2-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]ethanamine 2-[1-[[(2S)-tetrahydrofuran-2-yl…

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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) 0.21 4.17 -41.64 3 3 1 42 195.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]ethanamine 2-[1-[[(2R)-tetrahydrofuran-2-yl…

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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) 0.21 4.12 -43.54 3 3 1 42 195.286 4 ↓

Analogs

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Popular Name: 4-nitro-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxylic 4-nitro-1-[[(2S)-tetrahydrofuran…

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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) 0.99 6.42 -44.53 0 7 -1 100 239.207 4 ↓

Analogs

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Popular Name: 4-nitro-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxylic 4-nitro-1-[[(2R)-tetrahydrofuran…

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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) 0.99 7.24 -50.79 0 7 -1 100 239.207 4 ↓

Analogs

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Popular Name: 1-[[(2S)-tetrahydrofuran-2-yl]methyl]-4-(trifluoromethyl)pyrrole-3-carboxylic 1-[[(2S)-tetrahydrofuran-2-yl]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) 1.62 6.91 -56.2 0 4 -1 54 262.207 4 ↓

Analogs

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Popular Name: 1-[[(2R)-tetrahydrofuran-2-yl]methyl]-4-(trifluoromethyl)pyrrole-3-carboxylic 1-[[(2R)-tetrahydrofuran-2-yl]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) 1.62 6.88 -58.95 0 4 -1 54 262.207 4 ↓

Analogs

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Popular Name: (Z)-2-cyano-3-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-N-(3-isobutoxypropyl)p (Z)-2-cyano-3-[2,5-dimethyl-1-[[…

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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) 2.42 9.54 -10.75 1 6 0 76 387.524 10 ↓

Analogs

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Popular Name: prop-2-ynyl prop-2-ynyl

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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) 1.96 10.11 -13.33 0 5 0 64 312.369 6 ↓

Analogs

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Popular Name: 2-isopropoxyethyl 2-isopropoxyethyl

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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) 2.33 10.5 -13.9 0 6 0 73 360.454 9 ↓

Analogs

42824262
42824262
42824264
42824264
42824267
42824267
42824270
42824270

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

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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) 2.16 8.1 -7.99 0 3 0 31 269.772 4 ↓

Analogs

42824262
42824262
42824264
42824264
42824267
42824267
42824270
42824270

Draw Identity 99% 90% 80% 70%

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

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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) 2.16 8.05 -7.16 0 3 0 31 269.772 4 ↓

Analogs

42824262
42824262
42824264
42824264
42824267
42824267
42824270
42824270

Draw Identity 99% 90% 80% 70%

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

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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) 2.16 8.36 -9.79 0 3 0 31 269.772 4 ↓

Analogs

42824262
42824262
42824264
42824264
42824267
42824267
42824270
42824270

Draw Identity 99% 90% 80% 70%

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

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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) 2.16 8.31 -8.47 0 3 0 31 269.772 4 ↓

Parameters Provided:

ring.id = 16266
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 = 16266 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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