UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(dimethylBLAHyl)sulfanyl-N-(2-nitrophenyl)-acetamide 2-(dimethylBLAHyl)sulfanyl-N-(2-…

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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 1.28 -17.21 1 8 0 105 409.471 5 ↓

Analogs

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Popular Name: 2-(dimethylBLAHyl)sulfanyl-N-(4-nitrophenyl)-acetamide 2-(dimethylBLAHyl)sulfanyl-N-(4-…

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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 0.9 -18.11 1 8 0 105 409.471 5 ↓

Analogs

4896322
4896322
13084665
13084665
882926
882926
1368704
1368704

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Popular Name: dimethyl-[2-(1-piperidyl)ethylsulfanyl]BLAH dimethyl-[2-(1-piperidyl)ethylsu…

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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) 4.23 1.44 -41.45 1 4 1 35 343.52 4 ↓

Analogs

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Popular Name: methyl 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) 3.16 9.49 -12.88 0 5 0 57 303.387 4 ↓

Analogs

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Popular Name: 2-(dimethylBLAHyl)sulfanylacetamide 2-(dimethylBLAHyl)sulfanylacetamide

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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) 2.03 -1.55 -14.74 2 5 0 73 288.376 3 ↓

Analogs

882947
882947

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Popular Name: 2-(dimethylBLAHyl)sulfanyl-N-(4-methylthiazol-2-yl)-acetamide 2-(dimethylBLAHyl)sulfanyl-N-(4-…

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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) 3.38 -0.7 -15.4 1 6 0 72 385.518 4 ↓

Analogs

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Popular Name: 1,3-dioxolan-2-ylmethylsulfanyl-dimethyl-BLAH 1,3-dioxolan-2-ylmethylsulfanyl-…

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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) 3.10 -0.43 -14.28 0 5 0 49 317.414 3 ↓

Parameters Provided:

ring.id = 246451
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 = 246451 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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