UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4891552
4891552

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Popular Name: 2-[(3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl)sulfanyl]-N-(p-tolyl)acetamide 2-[(3-phenyl-1,4-diazaspiro[4.6]…

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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) 5.87 -3.32 -8.73 1 4 0 53 405.567 5 ↓

Analogs

9599310
9599310

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Popular Name: N-(4-methoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl)sulfanyl]acetamide N-(4-methoxyphenyl)-2-[(3-phenyl…

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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) 5.48 7.97 -10.5 1 5 0 63 421.566 6 ↓

Analogs

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Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl]-N-(p-tolyl)acetamide 2-[[3-(4-fluorophenyl)-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) 6.04 -2.57 -8.05 1 4 0 53 423.557 5 ↓

Analogs

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Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[3-(4-fluorophenyl)-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) 6.01 -2.56 -7.85 1 4 0 53 423.557 5 ↓

Analogs

4891463
4891463

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Popular Name: N-(4-fluorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide N-(4-fluorophenyl)-2-[(2-phenyl-…

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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) 5.59 -2.9 -9.02 1 4 0 53 409.53 5 ↓

Analogs

4891397
4891397

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Popular Name: N-phenyl-2-[(2-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide N-phenyl-2-[(2-phenyl-1,4-diazas…

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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) 5.43 -3.64 -8.72 1 4 0 53 391.54 5 ↓

Analogs

9599297
9599297

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Popular Name: N-(3,4-dimethylphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl)sulfanyl]acetamide N-(3,4-dimethylphenyl)-2-[(3-phe…

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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) 6.25 -3.02 -8.73 1 4 0 53 419.594 5 ↓

Analogs

4890925
4890925

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Popular Name: N-(3-fluorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide N-(3-fluorophenyl)-2-[(2-phenyl-…

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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) 5.57 -2.9 -10.83 1 4 0 53 409.53 5 ↓

Analogs

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Popular Name: 2-benzylsulfanyl-3-(2-thienyl)-1,4-diazaspiro[4.6]undeca-1,3-diene 2-benzylsulfanyl-3-(2-thienyl)-1…

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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) 6.12 9.53 -5.16 0 2 0 25 354.544 4 ↓

Analogs

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Popular Name: 3-(thiophen-2-yl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione 3-(thiophen-2-yl)-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) 4.32 5.73 -6.2 1 2 0 26 264.419 1 ↓

Analogs

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Popular Name: 3-(3-methylphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione 3-(3-methylphenyl)-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) 4.84 7.04 -5.78 1 2 0 26 272.417 1 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione 3-(3-chlorophenyl)-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) 5.07 6.88 -5.04 1 2 0 26 292.835 1 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione 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) 4.47 5.69 -6.21 1 3 0 36 288.416 2 ↓

Parameters Provided:

ring.id = 249706
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 = 249706 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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