UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11815258
11815258

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Popular Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-phenylpropyl)acetamide 2-[(2R)-1-[(4-fluorophenyl)methy…

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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) 3.78 -1.83 -49.25 3 5 1 63 384.475 8 ↓

Analogs

11815256
11815256

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Popular Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-phenylpropyl)acetamide 2-[(2S)-1-[(4-fluorophenyl)methy…

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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) 3.78 -1.61 -48.87 3 5 1 63 384.475 8 ↓

Analogs

11817309
11817309

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Popular Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-phenylpropyl)acetamide 2-[(2S)-1-[(4-methoxy-2,3-dimeth…

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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) 4.43 -1.7 -46.57 3 6 1 72 424.565 9 ↓

Analogs

11817308
11817308

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Popular Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-phenylpropyl)acetamide 2-[(2R)-1-[(4-methoxy-2,3-dimeth…

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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) 4.43 -1.72 -45.95 3 6 1 72 424.565 9 ↓

Analogs

11843476
11843476
55042033
55042033
55042034
55042034

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Popular Name: 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-phenylpropyl)acetamide 2-[(2R)-3-oxo-1-[[3-(trifluorome…

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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) 4.49 -0.08 -50.74 3 5 1 63 434.482 9 ↓

Analogs

55042033
55042033
55042034
55042034
11843475
11843475

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Popular Name: 2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-phenylpropyl)acetamide 2-[(2S)-3-oxo-1-[[3-(trifluorome…

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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) 4.49 -0.09 -50.57 3 5 1 63 434.482 9 ↓

Analogs

11843475
11843475
11843476
11843476

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Popular Name: 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-phenylpropyl)acetamide 2-[(2R)-3-oxo-1-[[3-(trifluorome…

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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) 4.49 8.33 -13.07 2 5 0 61 433.474 9 ↓

Analogs

11843475
11843475
11843476
11843476

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Popular Name: 2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-phenylpropyl)acetamide 2-[(2S)-3-oxo-1-[[3-(trifluorome…

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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) 4.49 8.32 -14.81 2 5 0 61 433.474 9 ↓

Analogs

39267150
39267150
12592243
12592243
12592248
12592248

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Popular Name: 2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-phenylpropyl)acetamide 2-[(2R)-3-oxo-1-[[2-(trifluorome…

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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) 4.46 9.51 -14.77 2 5 0 61 433.474 9 ↓

Analogs

39267150
39267150
12592243
12592243
12592248
12592248

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-phenylpropyl)acetamide 2-[(2S)-3-oxo-1-[[2-(trifluorome…

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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) 4.46 9.51 -14.91 2 5 0 61 433.474 9 ↓

Parameters Provided:

ring.id = 47968
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 = 47968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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