UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane 2-(3,4-dimethoxyphenyl)sulfonyl-…

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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) 1.53 5.37 -48.27 1 6 1 60 355.48 4 ↓

Analogs

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Popular Name: isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate isopropyl 2-({2-nitrobenzoyl}ami…

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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) 1.93 5.33 -47.55 1 6 1 60 355.48 4 ↓

Analogs

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Popular Name: 3-(2,6-dichlorophenyl)sulfonyl-3,8-diazaspiro[4.5]decane 3-(2,6-dichlorophenyl)sulfonyl-3…

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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 5.2 -50.11 2 4 1 54 350.291 2 ↓

Analogs

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Popular Name: 3-(2-methoxy-5-methyl-phenyl)sulfonyl-3,8-diazaspiro[4.5]decane 3-(2-methoxy-5-methyl-phenyl)sul…

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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) 1.72 4.42 -50.91 2 5 1 63 325.454 3 ↓

Analogs

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Popular Name: 3-(3-chloro-4-methyl-phenyl)sulfonyl-3,8-diazaspiro[4.5]decane 3-(3-chloro-4-methyl-phenyl)sulf…

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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) 2.35 5.04 -49.79 2 4 1 54 329.873 2 ↓

Parameters Provided:

ring.id = 417982
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 = 417982 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=417982&filter.purchasability=annotated

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