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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3S)-8-(2-chlorobenzoyl)-4-(furan-2-carbonyl)-N-(2-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3- (3S)-8-(2-chlorobenzoyl)-4-(fura…

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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) 1.47 7.44 -17.85 1 9 0 105 508.962 5 ↓
Lo Low (pH 4.5-6) 1.47 7.85 -56.9 2 9 1 106 509.97 5 ↓

Analogs

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Popular Name: (3R)-8-(2-chlorobenzoyl)-4-(furan-2-carbonyl)-N-(2-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3- (3R)-8-(2-chlorobenzoyl)-4-(fura…

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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) 1.47 7.5 -19.13 1 9 0 105 508.962 5 ↓
Lo Low (pH 4.5-6) 1.47 7.9 -57.78 2 9 1 106 509.97 5 ↓

Analogs

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Popular Name: (3S)-4-(furan-2-carbonyl)-8-(4-methoxybenzoyl)-N-(2-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3 (3S)-4-(furan-2-carbonyl)-8-(4-m…

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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) 0.90 6.22 -17.15 1 10 0 114 504.543 6 ↓
Lo Low (pH 4.5-6) 0.90 6.63 -56.45 2 10 1 115 505.551 6 ↓

Analogs

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Popular Name: (3R)-4-(furan-2-carbonyl)-8-(4-methoxybenzoyl)-N-(2-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3 (3R)-4-(furan-2-carbonyl)-8-(4-m…

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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) 0.90 6.24 -18.47 1 10 0 114 504.543 6 ↓
Lo Low (pH 4.5-6) 0.90 6.64 -56.95 2 10 1 115 505.551 6 ↓

Analogs

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Popular Name: (3S)-4-(furan-2-carbonyl)-8-(3-methylbenzoyl)-N-(2-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3- (3S)-4-(furan-2-carbonyl)-8-(3-m…

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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) 1.26 7.57 -18.24 1 9 0 105 488.544 5 ↓
Lo Low (pH 4.5-6) 1.26 7.97 -56.85 2 9 1 106 489.552 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(furan-2-carbonyl)-8-(3-methylbenzoyl)-N-(2-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3- (3R)-4-(furan-2-carbonyl)-8-(3-m…

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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) 1.26 7.61 -18.71 1 9 0 105 488.544 5 ↓
Lo Low (pH 4.5-6) 1.26 8 -57.48 2 9 1 106 489.552 5 ↓

Parameters Provided:

ring.id = 21118
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 = 21118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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