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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: 4-fluoro-N-[[(3S,4S)-1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-isobuty 4-fluoro-N-[[(3S,4S)-1-[(2-fluor…

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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) 6.07 13.02 -10.16 0 4 0 33 492.61 9 ↓
Mid Mid (pH 6-8) 6.07 15.54 -55.21 1 4 1 34 493.618 9 ↓

Analogs

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Popular Name: 4-fluoro-N-[[(3R,4S)-1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-isobuty 4-fluoro-N-[[(3R,4S)-1-[(2-fluor…

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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) 6.07 13.26 -9.36 0 4 0 33 492.61 9 ↓
Mid Mid (pH 6-8) 6.07 15.79 -35.98 1 4 1 34 493.618 9 ↓

Analogs

35810225
35810225
35810226
35810226

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Popular Name: 4-fluoro-N-isobutyl-N-[[(3R,4R)-4-(3-methoxyphenyl)-1-(p-tolylmethyl)pyrrolidin-3-yl]methyl]benzamid 4-fluoro-N-isobutyl-N-[[(3R,4R)-…

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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) 6.40 16.81 -40.38 1 4 1 34 489.655 9 ↓
Mid Mid (pH 6-8) 6.40 13.8 -7.82 0 4 0 33 488.647 9 ↓

Analogs

35810225
35810225
35810226
35810226

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-isobutyl-N-[[(3S,4R)-4-(3-methoxyphenyl)-1-(p-tolylmethyl)pyrrolidin-3-yl]methyl]benzamid 4-fluoro-N-isobutyl-N-[[(3S,4R)-…

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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) 6.40 16.71 -56.87 1 4 1 34 489.655 9 ↓
Mid Mid (pH 6-8) 6.40 14.17 -10.05 0 4 0 33 488.647 9 ↓

Analogs

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Popular Name: 4-fluoro-N-isobutyl-N-[[(3R,4R)-4-(3-methoxyphenyl)-1-(m-tolylmethyl)pyrrolidin-3-yl]methyl]benzamid 4-fluoro-N-isobutyl-N-[[(3R,4R)-…

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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) 6.38 16.8 -40.48 1 4 1 34 489.655 9 ↓
Mid Mid (pH 6-8) 6.38 13.8 -7.88 0 4 0 33 488.647 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-isobutyl-N-[[(3S,4R)-4-(3-methoxyphenyl)-1-(m-tolylmethyl)pyrrolidin-3-yl]methyl]benzamid 4-fluoro-N-isobutyl-N-[[(3S,4R)-…

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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) 6.38 16.36 -59.41 1 4 1 34 489.655 9 ↓
Mid Mid (pH 6-8) 6.38 14.04 -11.65 0 4 0 33 488.647 9 ↓

Analogs

35810255
35810255
35810256
35810256

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[[(3S,4S)-1-[(3-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-isobuty 4-fluoro-N-[[(3S,4S)-1-[(3-fluor…

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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) 6.09 13.27 -10.41 0 4 0 33 492.61 9 ↓
Mid Mid (pH 6-8) 6.09 15.6 -64.69 1 4 1 34 493.618 9 ↓

Analogs

35810255
35810255
35810256
35810256

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-isobuty 4-fluoro-N-[[(3R,4S)-1-[(3-fluor…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.09 13.56 -8.64 0 4 0 33 492.61 9 ↓
Mid Mid (pH 6-8) 6.09 16.55 -45.45 1 4 1 34 493.618 9 ↓

Parameters Provided:

ring.id = 554388
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 = 554388 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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