UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4891116
4891116
4891293
4891293
4891311
4891311
4891317
4891317
4891351
4891351

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Popular Name: 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one 3-phenyl-1,4-diazaspiro[4.4]non-…

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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) 2.27 -3.73 -6.19 1 3 0 41 214.268 1 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one 3-(4-fluorophenyl)-1,4-diazaspir…

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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 3.27 -5.08 1 3 0 41 232.258 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-fluorophenyl)-1,4-diazaspiro[4.4]non-1-en-3-one 2-(3-fluorophenyl)-1,4-diazaspir…

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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) 2.41 -2.99 -5.57 1 3 0 41 232.258 1 ↓

Analogs

4891122
4891122
4891129
4891129
6818732
6818732
6818775
6818775
4890521
4890521

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Popular Name: 2-(4-bromophenyl)-1,4-diazaspiro[4.4]non-1-en-3-one 2-(4-bromophenyl)-1,4-diazaspiro…

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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) 3.08 3.83 -4.8 1 3 0 41 293.164 1 ↓

Analogs

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Popular Name: 2-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]non-1-en-3-one 2-(3,4-dichlorophenyl)-1,4-diaza…

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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) 3.55 -4.01 -5.74 1 3 0 41 283.158 1 ↓

Parameters Provided:

ring.id = 249701
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 = 249701 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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