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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-fluorophenyl)methyl]-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylic (3R)-3-[(4-fluorophenyl)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) 1.93 8.54 -49.65 1 5 -1 81 370.4 5 ↓
Lo Low (pH 4.5-6) 1.93 6.55 -12.74 2 5 0 78 371.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4-fluorophenyl)methyl]-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylic (3S)-3-[(4-fluorophenyl)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) 1.93 8.38 -56.09 1 5 -1 81 370.4 5 ↓
Lo Low (pH 4.5-6) 1.93 6.51 -12.69 2 5 0 78 371.408 5 ↓

Analogs

11816994
11816994
39308202
39308202
39308204
39308204

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Popular Name: [(3R)-3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]-[2-(trifluoromethyl)phenyl]metha [(3R)-3-[(2,4-difluorophenyl)met…

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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) 3.65 2.94 -16.27 1 3 0 41 413.386 5 ↓

Analogs

39308202
39308202
39308204
39308204
11816993
11816993

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Popular Name: [(3S)-3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]-[2-(trifluoromethyl)phenyl]metha [(3S)-3-[(2,4-difluorophenyl)met…

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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) 3.65 2.3 -14.44 1 3 0 41 413.386 5 ↓

Analogs

11817739
11817739

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Popular Name: ethyl ethyl

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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) 3.53 5.01 -16.24 0 5 0 64 429.463 7 ↓

Analogs

11817738
11817738

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Popular Name: ethyl ethyl

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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) 3.53 4.86 -15.96 0 5 0 64 429.463 7 ↓

Analogs

11840821
11840821
11841753
11841753
11841754
11841754

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Popular Name: ethyl ethyl

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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) 3.97 3.2 -15.45 0 5 0 64 427.928 7 ↓

Analogs

11841753
11841753
11841754
11841754
11840819
11840819

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 3.97 3.22 -16.67 0 5 0 64 427.928 7 ↓

Analogs

11841754
11841754
11840819
11840819
11840821
11840821

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 3.86 3.08 -10.11 0 5 0 64 413.901 7 ↓

Analogs

11840819
11840819
11840821
11840821

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Popular Name: ethyl ethyl

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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) 3.86 3.18 -12.91 0 5 0 64 413.901 7 ↓

Analogs

11842019
11842019

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Popular Name: ethyl ethyl

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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) 3.94 2.64 -12.26 1 5 0 67 451.538 6 ↓

Analogs

11842017
11842017

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Popular Name: ethyl ethyl

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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) 3.94 2.57 -14.35 1 5 0 67 451.538 6 ↓

Analogs

11842604
11842604

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Popular Name: ethyl ethyl

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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) 3.58 3.29 -14.78 0 6 0 65 429.488 8 ↓

Analogs

11842603
11842603

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Popular Name: ethyl ethyl

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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) 3.58 3.34 -10.47 0 6 0 65 429.488 8 ↓

Analogs

11842789
11842789

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]-(3-methoxy-4-methyl-phenyl)methanone [(3S)-3-[(2-fluorophenyl)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) 3.10 0.45 -14.7 1 4 0 50 371.452 5 ↓

Analogs

11842788
11842788

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]-(3-methoxy-4-methyl-phenyl)methanone [(3R)-3-[(2-fluorophenyl)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) 3.10 0.32 -11.09 1 4 0 50 371.452 5 ↓

Analogs

11842855
11842855

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Popular Name: ethyl ethyl

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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) 3.81 2.65 -11.28 0 4 0 47 397.54 7 ↓

Analogs

11842854
11842854

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Popular Name: ethyl ethyl

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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) 3.81 2.66 -11 0 4 0 47 397.54 7 ↓

Analogs

11843303
11843303
39307857
39307857
39307859
39307859

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chloro-2-fluoro-phenyl)-[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methanone (3-chloro-2-fluoro-phenyl)-[(3S)…

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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) 3.46 1.08 -18.47 1 3 0 41 379.834 4 ↓

Analogs

39307857
39307857
39307859
39307859
11843302
11843302

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chloro-2-fluoro-phenyl)-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methanone (3-chloro-2-fluoro-phenyl)-[(3R)…

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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) 3.46 1.11 -17.64 1 3 0 41 379.834 4 ↓

Analogs

11843616
11843616

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Popular Name: (2-fluorophenyl)-[(3R)-3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methanone (2-fluorophenyl)-[(3R)-3-[(2-flu…

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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 0.64 -13.51 1 3 0 41 345.389 4 ↓

Analogs

11843615
11843615

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Popular Name: (2-fluorophenyl)-[(3S)-3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methanone (2-fluorophenyl)-[(3S)-3-[(2-flu…

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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 0.72 -18.46 1 3 0 41 345.389 4 ↓

Analogs

12022943
12022943

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Popular Name: (2-chloro-4-fluoro-phenyl)-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methanone (2-chloro-4-fluoro-phenyl)-[(3R)…

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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 1.2 -12.4 1 3 0 41 379.834 4 ↓

Analogs

12022941
12022941

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Popular Name: (2-chloro-4-fluoro-phenyl)-[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methanone (2-chloro-4-fluoro-phenyl)-[(3S)…

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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 1.16 -13.24 1 3 0 41 379.834 4 ↓

Analogs

12224817
12224817

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Popular Name: (3-allyloxyphenyl)-[(3R)-3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methanone (3-allyloxyphenyl)-[(3R)-3-[(2,4…

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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 1.23 -15.89 1 4 0 50 401.453 7 ↓

Analogs

12224808
12224808

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Popular Name: (3-allyloxyphenyl)-[(3S)-3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methanone (3-allyloxyphenyl)-[(3S)-3-[(2,4…

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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 1.24 -9.54 1 4 0 50 401.453 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-benzyl-3-(hydroxymethyl)-1-piperidyl]-(2,3-dimethoxyphenyl)methanone [(3S)-3-benzyl-3-(hydroxymethyl)…

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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) 2.92 8.5 -16.65 1 5 0 59 369.461 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-benzyl-3-(hydroxymethyl)-1-piperidyl]-(2,3-dimethoxyphenyl)methanone [(3R)-3-benzyl-3-(hydroxymethyl)…

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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) 2.92 8.03 -16.88 1 5 0 59 369.461 6 ↓

Parameters Provided:

ring.id = 33307
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 = 33307 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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