UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-cinnamylsulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide 2-cinnamylsulfanyl-4,5,6-trimeth…

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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) 3.95 7.29 -11.26 2 3 0 56 312.438 5 ↓

Analogs

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Popular Name: 2-[(E)-cinnamyl]sulfanyl-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide 2-[(E)-cinnamyl]sulfanyl-N-[2-(m…

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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) 2.29 4.38 -23.8 2 6 0 88 391.518 9 ↓

Analogs

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Popular Name: 2-[(E)-cinnamyl]sulfanylpyridine-4-carboxylic 2-[(E)-cinnamyl]sulfanylpyridine…

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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) 3.85 9.64 -46.1 0 3 -1 53 270.333 5 ↓

Analogs

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Popular Name: 2-[(E)-cinnamylsulfanyl]pyridin-3-amine 2-[(E)-cinnamylsulfanyl]pyridin-…

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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) 3.42 7.03 -6.06 2 2 0 39 242.347 4 ↓

Analogs

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Popular Name: 6-[(E)-cinnamylsulfanyl]pyridin-3-amine 6-[(E)-cinnamylsulfanyl]pyridin-…

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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) 3.64 6.96 -6.22 2 2 0 39 242.347 4 ↓

Analogs

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Popular Name: 4,6-diamino-2-[(E)-cinnamyl]sulfanyl-pyridine-3-carbonitrile 4,6-diamino-2-[(E)-cinnamyl]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) 2.93 5.98 -9 4 4 0 89 282.372 4 ↓

Analogs

2383716
2383716

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Popular Name: 6-[(E)-cinnamyl]sulfanylpyridine-3-carboxylic 6-[(E)-cinnamyl]sulfanylpyridine…

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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) 3.56 9.63 -44.69 0 3 -1 53 270.333 5 ↓

Parameters Provided:

ring.id = 207184
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 = 207184 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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