UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-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) 2.91 -2.76 -7.36 1 3 0 41 246.285 1 ↓

Analogs

6818743
6818743

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Popular Name: 2-(3-fluorophenyl)-8-tert-butyl-1,4-diazaspiro[4.5]dec-1-en-3-one 2-(3-fluorophenyl)-8-tert-butyl-…

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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) 4.01 -1.38 -6.76 1 3 0 41 302.393 2 ↓

Analogs

4891116
4891116

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Popular Name: 2-(4-bromophenyl)-1,4-diazaspiro[4.5]dec-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) 3.58 4.61 -4.95 1 3 0 41 307.191 1 ↓

Analogs

4891145
4891145
4891152
4891152

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Popular Name: 2-(3,4-dichlorophenyl)-1,4-diazaspiro[4.5]dec-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) 4.06 -3.78 -4.5 1 3 0 41 297.185 1 ↓

Analogs

4891152
4891152
4891139
4891139

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Popular Name: 2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-1-en-3-one 2-(3,4-dichlorophenyl)-8-methyl-…

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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) 3.83 -3.32 -3.97 1 3 0 41 311.212 1 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one 3-(4-methoxyphenyl)-1,4-diazaspi…

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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) 2.83 3.29 -6.39 1 4 0 51 258.321 2 ↓

Analogs

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Popular Name: 8-methyl-3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one 8-methyl-3-phenyl-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) 2.55 4.6 -6.15 1 3 0 41 242.322 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-tert-butylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one 2-(4-tert-butylphenyl)-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) 4.48 6.31 -5.67 1 3 0 41 284.403 2 ↓

Parameters Provided:

ring.id = 249749
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 = 249749 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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