UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 2-(2-thienylmethyl)-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-(2-thienylmethyl)-2,4,8-triaza…

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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) 0.37 3.31 -53.4 3 5 1 66 266.346 2 ↓
Hi High (pH 8-9.5) 0.37 1.98 -7.55 2 5 0 61 265.338 2 ↓

Analogs

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Popular Name: 2-[(5-chloro-2-thienyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(5-chloro-2-thienyl)methyl]-2…

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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) 1.17 3.93 -53.24 3 5 1 66 300.791 2 ↓
Hi High (pH 8-9.5) 1.17 2.61 -6.67 2 5 0 61 299.783 2 ↓

Analogs

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Popular Name: 2-[(5-bromo-2-thienyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(5-bromo-2-thienyl)methyl]-2,…

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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) 1.30 4.04 -53.3 3 5 1 66 345.242 2 ↓
Hi High (pH 8-9.5) 1.30 2.71 -6.74 2 5 0 61 344.234 2 ↓

Analogs

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Popular Name: 2-[(5-ethyl-2-thienyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(5-ethyl-2-thienyl)methyl]-2,…

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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) 1.16 4.93 -53.47 3 5 1 66 294.4 3 ↓
Hi High (pH 8-9.5) 1.16 3.6 -7.55 2 5 0 61 293.392 3 ↓

Analogs

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Popular Name: 2-[(4-bromo-2-thienyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(4-bromo-2-thienyl)methyl]-2,…

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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) 1.10 3.92 -52.82 3 5 1 66 345.242 2 ↓
Hi High (pH 8-9.5) 1.10 2.59 -6.87 2 5 0 61 344.234 2 ↓

Analogs

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Popular Name: 2-[(3-bromo-2-thienyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(3-bromo-2-thienyl)methyl]-2,…

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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) 1.10 3.82 -52.29 3 5 1 66 345.242 2 ↓
Hi High (pH 8-9.5) 1.10 2.51 -7.11 2 5 0 61 344.234 2 ↓

Parameters Provided:

ring.id = 214336
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 = 214336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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