UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11838380
11838380

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Popular Name: (2S)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-c (2S)-6-[[3-(2-hydroxyethoxy)phen…

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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) 4.41 -1.5 -47.88 3 5 1 63 463.642 9 ↓

Analogs

11838379
11838379

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Popular Name: (2R)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-c (2R)-6-[[3-(2-hydroxyethoxy)phen…

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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) 4.41 -1.41 -48.36 3 5 1 63 463.642 9 ↓

Analogs

11841379
11841379
34699249
34699249

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Popular Name: (1S)-6-[(2,3-dimethoxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-1-carboxa (1S)-6-[(2,3-dimethoxyphenyl)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) 4.83 1.79 -38.92 2 5 1 52 463.642 8 ↓

Analogs

34699249
34699249
11841376
11841376

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Popular Name: (1R)-6-[(2,3-dimethoxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-1-carboxa (1R)-6-[(2,3-dimethoxyphenyl)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) 4.83 1.95 -44.65 2 5 1 52 463.642 8 ↓

Analogs

12000157
12000157

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Popular Name: (1S)-6-[(3-ethoxy-4-methoxy-phenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-1-c (1S)-6-[(3-ethoxy-4-methoxy-phen…

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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) 5.03 1.57 -46.08 2 5 1 52 477.669 9 ↓

Analogs

12000144
12000144

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Popular Name: (1R)-6-[(3-ethoxy-4-methoxy-phenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-1-c (1R)-6-[(3-ethoxy-4-methoxy-phen…

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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) 5.03 1.72 -52.5 2 5 1 52 477.669 9 ↓

Analogs

12034519
12034519

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Popular Name: (2S)-6-[(2-fluorophenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (2S)-6-[(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) 5.13 1.73 -41.72 2 3 1 34 421.58 6 ↓

Analogs

12034517
12034517

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Popular Name: (2R)-6-[(2-fluorophenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (2R)-6-[(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) 5.13 2.13 -42.56 2 3 1 34 421.58 6 ↓

Analogs

12036571
12036571

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Popular Name: (1S)-6-[(3,5-dimethoxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-1-carboxa (1S)-6-[(3,5-dimethoxyphenyl)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) 5.05 1.21 -44.72 2 5 1 52 463.642 8 ↓

Analogs

12036565
12036565

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Popular Name: (1R)-6-[(3,5-dimethoxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-1-carboxa (1R)-6-[(3,5-dimethoxyphenyl)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) 5.05 1.26 -38.17 2 5 1 52 463.642 8 ↓

Analogs

12217818
12217818

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Popular Name: (1S)-6-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[ (1S)-6-[[4-(3-hydroxy-3-methyl-b…

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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) 5.39 0.15 -50.45 3 4 1 54 485.692 6 ↓

Analogs

12217817
12217817

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Popular Name: (1R)-6-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[ (1R)-6-[[4-(3-hydroxy-3-methyl-b…

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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) 5.39 0.33 -52.79 3 4 1 54 485.692 6 ↓

Parameters Provided:

ring.id = 57560
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 = 57560 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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