UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5-chloro-2-hydroxy-phenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone (5-chloro-2-hydroxy-phenyl)-(1,4…

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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) 2.43 4.83 -39.16 2 5 1 48 338.859 1 ↓
Hi High (pH 8-9.5) 2.43 3.74 -48.53 0 5 -1 50 336.843 1 ↓
Hi High (pH 8-9.5) 2.43 2.93 -7.52 1 5 0 47 337.851 1 ↓

Analogs

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Popular Name: (5-chloro-2-methoxy-phenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone (5-chloro-2-methoxy-phenyl)-(1,4…

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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 6.33 -46.32 1 5 1 37 352.886 2 ↓
Hi High (pH 8-9.5) 2.50 4.29 -8.67 0 5 0 36 351.878 2 ↓

Analogs

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Popular Name: N-[4-(7,10-dimethyl-3,7,10-triazaspiro[5.5]undecane-3-carbonyl)-3-methyl-phenyl]acetamide N-[4-(7,10-dimethyl-3,7,10-triaz…

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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) 0.88 5.74 -53.61 2 6 1 57 359.494 2 ↓
Hi High (pH 8-9.5) 0.88 3.67 -13.27 1 6 0 56 358.486 2 ↓

Analogs

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Popular Name: (7,10-dimethyl-3,7,10-triazaspiro[5.5]undecan-3-yl)-[4-(propylamino)phenyl]methanone (7,10-dimethyl-3,7,10-triazaspir…

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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) 2.02 6.56 -44.7 2 5 1 40 345.511 4 ↓
Hi High (pH 8-9.5) 2.02 4.53 -8.52 1 5 0 39 344.503 4 ↓

Parameters Provided:

ring.id = 539022
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 = 539022 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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