UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-fluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide 2-(3-fluorophenyl)-N-[(2S)-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) 3.94 10.21 -53.45 2 4 1 43 371.476 7 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide 2-(3-fluorophenyl)-N-[(2R)-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) 3.94 10.25 -53.96 2 4 1 43 371.476 7 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide 2-(2-methoxyphenyl)-N-[(2S)-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) 3.81 9.77 -44.67 2 5 1 52 383.512 8 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide 2-(2-methoxyphenyl)-N-[(2R)-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) 3.81 9.57 -50.25 2 5 1 52 383.512 8 ↓

Analogs

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Popular Name: 2-(3-methoxy-4-methyl-phenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide 2-(3-methoxy-4-methyl-phenyl)-N-…

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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) 4.23 10.17 -53.82 2 5 1 52 397.539 8 ↓

Analogs

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Popular Name: 2-(3-methoxy-4-methyl-phenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide 2-(3-methoxy-4-methyl-phenyl)-N-…

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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) 4.23 10.21 -53.74 2 5 1 52 397.539 8 ↓

Analogs

37077250
37077250
37077251
37077251
37077252
37077252

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Popular Name: (2S)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-phenyl-butanamide (2S)-N-[(2R)-2-(4-methoxyphenyl)…

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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) 4.94 11.55 -43.03 2 4 1 43 381.54 8 ↓

Analogs

37077251
37077251
37077252
37077252
37077249
37077249

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Popular Name: (2R)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-phenyl-butanamide (2R)-N-[(2R)-2-(4-methoxyphenyl)…

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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) 4.94 11.6 -43.27 2 4 1 43 381.54 8 ↓

Analogs

37077252
37077252
37077249
37077249
37077250
37077250

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-phenyl-butanamide (2S)-N-[(2S)-2-(4-methoxyphenyl)…

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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) 4.94 11.58 -43.44 2 4 1 43 381.54 8 ↓

Analogs

37077249
37077249
37077250
37077250
37077251
37077251

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-phenyl-butanamide (2R)-N-[(2S)-2-(4-methoxyphenyl)…

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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) 4.94 12.13 -42.69 2 4 1 43 381.54 8 ↓

Analogs

14233364
14233364
25081748
25081748
34679652
34679652
34679661
34679661

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Popular Name: 2-(4-acetamidophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide 2-(4-acetamidophenyl)-N-[(2S)-2-…

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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) 3.02 9.32 -48.94 3 6 1 72 410.538 8 ↓

Analogs

25081748
25081748
34679652
34679652
34679661
34679661
14233361
14233361

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Popular Name: 2-(4-acetamidophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide 2-(4-acetamidophenyl)-N-[(2R)-2-…

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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) 3.02 8.98 -53.6 3 6 1 72 410.538 8 ↓

Parameters Provided:

ring.id = 45877
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 = 45877 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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