UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6776495
6776495
6776494
6776494

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Popular Name: (3S)-4-benzoyl-N-(2-furylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-4-benzoyl-N-(2-furylmethyl)…

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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) 2.46 5.58 -10.7 1 6 0 72 368.433 4 ↓

Analogs

6776495
6776495
6776494
6776494

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-benzoyl-N-(2-furylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3R)-4-benzoyl-N-(2-furylmethyl)…

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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) 2.46 5.78 -11.66 1 6 0 72 368.433 4 ↓

Analogs

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Popular Name: (3S)-N-(2-furylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-N-(2-furylmethyl)-4-(3-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) 2.50 4.88 -13.04 1 7 0 81 398.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-furylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3R)-N-(2-furylmethyl)-4-(3-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) 2.50 5.07 -14.28 1 7 0 81 398.459 5 ↓

Analogs

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Popular Name: (3S)-N-(2-furylmethyl)-4-(2-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-N-(2-furylmethyl)-4-(2-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) 3.02 5.71 -13.23 1 7 0 81 398.459 5 ↓

Analogs

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Popular Name: (3R)-N-(2-furylmethyl)-4-(2-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3R)-N-(2-furylmethyl)-4-(2-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) 3.02 5.82 -14.43 1 7 0 81 398.459 5 ↓

Analogs

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Popular Name: (3S)-N-(2-furylmethyl)-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-N-(2-furylmethyl)-4-[2-(tri…

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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) 3.31 6.57 -14.07 1 6 0 72 436.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-furylmethyl)-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3R)-N-(2-furylmethyl)-4-[2-(tri…

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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) 3.31 6.7 -16.02 1 6 0 72 436.43 5 ↓

Analogs

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Popular Name: (3S)-N-(2-furylmethyl)-4-(2-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-N-(2-furylmethyl)-4-(2-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) 2.79 6.53 -12.71 1 7 0 81 412.486 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-furylmethyl)-4-(2-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3R)-N-(2-furylmethyl)-4-(2-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) 2.79 7.7 -18.54 1 7 0 81 412.486 5 ↓

Parameters Provided:

ring.id = 20809
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 = 20809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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