UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-4-(3-nitrobenzoyl)-N-(4-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-4-(3-nitrobenzoyl)-N-(4-pyr…

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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) 1.85 6.38 -19.51 1 9 0 117 424.457 5 ↓
Lo Low (pH 4.5-6) 1.85 6.84 -63.55 2 9 1 119 425.465 5 ↓

Analogs

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Popular Name: (3R)-4-(3-nitrobenzoyl)-N-(4-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3R)-4-(3-nitrobenzoyl)-N-(4-pyr…

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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) 1.85 6.5 -19.95 1 9 0 117 424.457 5 ↓
Lo Low (pH 4.5-6) 1.85 6.96 -64.6 2 9 1 119 425.465 5 ↓

Analogs

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Popular Name: (3S)-4-(4-methylbenzoyl)-N-(4-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-4-(4-methylbenzoyl)-N-(4-py…

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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) 2.37 6.35 -12.91 1 6 0 72 393.487 4 ↓
Lo Low (pH 4.5-6) 2.37 6.81 -52.86 2 6 1 73 394.495 4 ↓

Analogs

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Popular Name: (3R)-4-(4-methylbenzoyl)-N-(4-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3R)-4-(4-methylbenzoyl)-N-(4-py…

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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) 2.37 6.48 -13.02 1 6 0 72 393.487 4 ↓
Lo Low (pH 4.5-6) 2.37 6.94 -53.89 2 6 1 73 394.495 4 ↓

Analogs

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

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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 6.68 -15.07 1 6 0 72 447.457 5 ↓
Lo Low (pH 4.5-6) 2.79 7.14 -56.76 2 6 1 73 448.465 5 ↓

Analogs

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

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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 6.8 -15.43 1 6 0 72 447.457 5 ↓
Lo Low (pH 4.5-6) 2.79 7.26 -57.65 2 6 1 73 448.465 5 ↓

Analogs

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Popular Name: (3S,5R,7S)-7-methyl-4-(2-methylbenzoyl)-N-(4-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamid (3S,5R,7S)-7-methyl-4-(2-methylb…

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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) 2.32 6.93 -11.67 1 6 0 72 407.514 4 ↓
Lo Low (pH 4.5-6) 2.32 7.39 -50.67 2 6 1 73 408.522 4 ↓

Analogs

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Popular Name: (3R,5R,7S)-7-methyl-4-(2-methylbenzoyl)-N-(4-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamid (3R,5R,7S)-7-methyl-4-(2-methylb…

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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) 2.32 6.89 -11.61 1 6 0 72 407.514 4 ↓
Lo Low (pH 4.5-6) 2.32 7.35 -50.25 2 6 1 73 408.522 4 ↓

Analogs

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Popular Name: (3S,5S,7S)-7-methyl-4-(2-methylbenzoyl)-N-(4-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamid (3S,5S,7S)-7-methyl-4-(2-methylb…

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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) 2.32 8.36 -16.59 1 6 0 72 407.514 4 ↓
Lo Low (pH 4.5-6) 2.32 8.82 -52.59 2 6 1 73 408.522 4 ↓

Analogs

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Popular Name: (3R,5S,7S)-7-methyl-4-(2-methylbenzoyl)-N-(4-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamid (3R,5S,7S)-7-methyl-4-(2-methylb…

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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) 2.32 7.66 -15.08 1 6 0 72 407.514 4 ↓
Lo Low (pH 4.5-6) 2.32 8.11 -54.11 2 6 1 73 408.522 4 ↓

Parameters Provided:

ring.id = 20798
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 = 20798 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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