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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: (3S)-3-methyl-1-(tetrahydropyran-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(tetrahydropyran…

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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) 0.41 4.48 -52.3 0 5 -1 70 240.279 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(tetrahydropyran-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(tetrahydropyran…

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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) 0.41 4.57 -55.2 0 5 -1 70 240.279 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(tetrahydropyran-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(tetrahydropyran-…

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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) 0.75 5.15 -47.51 0 5 -1 70 254.306 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(tetrahydropyran-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(tetrahydropyran-…

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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) 0.75 5.24 -44.76 0 5 -1 70 254.306 3 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-(tetrahydropyran-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(tetrahydropyran…

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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) 1.31 5.92 -47.9 0 5 -1 70 268.333 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-(tetrahydropyran-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(tetrahydropyran…

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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) 1.31 6 -45.07 0 5 -1 70 268.333 4 ↓

Analogs

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Popular Name: [4-(aminomethyl)tetrahydropyran-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone [4-(aminomethyl)tetrahydropyran-…

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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) -0.93 2.13 -105.89 4 5 2 62 257.378 3 ↓
Hi High (pH 8-9.5) -0.93 -0.28 -51.99 3 5 1 60 256.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(aminomethyl)tetrahydropyran-4-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone [4-(aminomethyl)tetrahydropyran-…

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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) -0.93 2.12 -106.63 4 5 2 62 257.378 3 ↓
Hi High (pH 8-9.5) -0.93 -0.28 -51.68 3 5 1 60 256.37 3 ↓

Analogs

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Popular Name: [4-(aminomethyl)tetrahydropyran-4-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone [4-(aminomethyl)tetrahydropyran-…

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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) -0.17 3.18 -104.06 4 5 2 62 285.432 5 ↓
Hi High (pH 8-9.5) -0.17 1.04 -51.57 3 5 1 60 284.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(aminomethyl)tetrahydropyran-4-yl]-[(3S)-3-(diethylamino)pyrrolidin-1-yl]methanone [4-(aminomethyl)tetrahydropyran-…

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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) -0.17 3.16 -105.93 4 5 2 62 285.432 5 ↓
Hi High (pH 8-9.5) -0.17 1.01 -51.63 3 5 1 60 284.424 5 ↓

Analogs

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Popular Name: 4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxy-tetrahydropyran-4-carboxamidine 4-[(3R)-3-(dimethylamino)pyrroli…

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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) -0.71 0.3 -42.38 4 7 1 93 285.368 3 ↓
Hi High (pH 8-9.5) -0.71 -2.2 -6.02 3 7 0 91 284.36 3 ↓

Analogs

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Popular Name: 4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxy-tetrahydropyran-4-carboxamidine 4-[(3S)-3-(dimethylamino)pyrroli…

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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) -0.71 0.3 -42.31 4 7 1 93 285.368 3 ↓
Hi High (pH 8-9.5) -0.71 -2.1 -6.08 3 7 0 91 284.36 3 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-N,N-diethyl-1-(tetrahydropyran-4-carbonyl)pyrrolidine-2-carboxamide (2S,4R)-4-amino-N,N-diethyl-1-(t…

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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) -0.49 2.72 -61.64 3 6 1 77 298.407 4 ↓
Hi High (pH 8-9.5) -0.49 2.34 -15.25 2 6 0 76 297.399 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-(tetrahydropyran-4-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(tetrahydropyran-4-car…

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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) 0.33 6.22 -67.19 0 5 -1 70 240.279 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-(tetrahydropyran-4-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(tetrahydropyran-4-car…

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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) 0.33 4.82 -55.68 0 5 -1 70 240.279 3 ↓

Analogs

42433390
42433390

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-tetrahydropyran-4-yl-methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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) 0.18 1.24 -9.43 1 4 0 50 213.277 2 ↓

Analogs

42433389
42433389

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-tetrahydropyran-4-yl-methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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) 0.18 1.05 -9.39 1 4 0 50 213.277 2 ↓

Parameters Provided:

ring.id = 307160
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 = 307160 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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