UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6776464
6776464
6776463
6776463
6771390
6771390

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Popular Name: (4-fluorophenyl)-[(3S)-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone (4-fluorophenyl)-[(3S)-3-(morpho…

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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) 2.06 5.56 -10.52 0 6 0 59 376.428 2 ↓

Analogs

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Popular Name: (4-fluorophenyl)-[(3R)-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone (4-fluorophenyl)-[(3R)-3-(morpho…

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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) 2.06 4.97 -10.15 0 6 0 59 376.428 2 ↓

Analogs

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Popular Name: [(3S)-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-(p-tolyl)methanone [(3S)-3-(morpholine-4-carbonyl)-…

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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) 2.35 6.17 -11.27 0 6 0 59 372.465 2 ↓

Analogs

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Popular Name: [(3R)-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-(p-tolyl)methanone [(3R)-3-(morpholine-4-carbonyl)-…

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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) 2.35 5.58 -10.91 0 6 0 59 372.465 2 ↓

Analogs

6776757
6776757
6776756
6776756

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Popular Name: [(3S)-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-[2-(trifluoromethyl)phenyl]methanon [(3S)-3-(morpholine-4-carbonyl)-…

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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) 2.75 6.5 -15.05 0 6 0 59 426.435 3 ↓

Analogs

6776757
6776757
6776756
6776756

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Popular Name: [(3R)-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-[2-(trifluoromethyl)phenyl]methanon [(3R)-3-(morpholine-4-carbonyl)-…

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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) 2.75 5.83 -14.72 0 6 0 59 426.435 3 ↓

Analogs

6776763
6776763
6776762
6776762

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Popular Name: [(3S)-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholino-methanone [(3S)-4-(3-fluorobenzoyl)-8-meth…

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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) 1.81 5.98 -12.34 0 6 0 59 390.455 2 ↓

Analogs

6776763
6776763
6776762
6776762

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Popular Name: [(3R)-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholino-methanone [(3R)-4-(3-fluorobenzoyl)-8-meth…

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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) 1.81 7.22 -17.46 0 6 0 59 390.455 2 ↓

Analogs

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Popular Name: [(3S)-4-(4-chlorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholino-methanone [(3S)-4-(4-chlorobenzoyl)-8-meth…

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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) 2.35 6.43 -9.79 0 6 0 59 406.91 2 ↓

Analogs

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Popular Name: [(3R)-4-(4-chlorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholino-methanone [(3R)-4-(4-chlorobenzoyl)-8-meth…

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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) 2.35 7.67 -14.47 0 6 0 59 406.91 2 ↓

Analogs

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Popular Name: [(3S)-4-(2-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholino-methanone [(3S)-4-(2-methoxybenzoyl)-8-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) 2.23 6.96 -22.11 0 7 0 68 402.491 3 ↓

Analogs

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Popular Name: [(3R)-4-(2-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholino-methanone [(3R)-4-(2-methoxybenzoyl)-8-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) 2.23 7.26 -19.95 0 7 0 68 402.491 3 ↓

Analogs

6776533
6776533
6776532
6776532
6777187
6777187

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Popular Name: [(3S)-8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-(m-tolyl)methanone [(3S)-8-methyl-3-(morpholine-4-c…

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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) 2.09 6.75 -10.9 0 6 0 59 386.492 2 ↓

Analogs

6776533
6776533
6776532
6776532
6777187
6777187

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Popular Name: [(3R)-8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-(m-tolyl)methanone [(3R)-8-methyl-3-(morpholine-4-c…

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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) 2.09 7.85 -17.4 0 6 0 59 386.492 2 ↓

Parameters Provided:

ring.id = 20794
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 = 20794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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