UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7160276
7160276

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Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-ethan 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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) 4.23 0.24 -10.56 0 5 0 60 369.49 6 ↓

Analogs

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Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-e 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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) 4.59 0.37 -10.31 0 5 0 60 383.517 6 ↓

Analogs

5778969
5778969
5219635
5219635
5219636
5219636

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Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimeth 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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) 4.20 -0.26 -9.92 0 6 0 70 413.543 8 ↓

Analogs

5778965
5778965
5219635
5219635

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Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimeth 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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) 4.20 -0.26 -10.12 0 6 0 70 413.543 8 ↓

Analogs

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Popular Name: 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone 2-[[5-(2-ethoxyphenyl)-1,3,4-oxa…

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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) 3.79 7.62 -13.67 0 6 0 70 385.489 8 ↓

Analogs

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Popular Name: 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethano 2-[[5-(2-ethoxyphenyl)-1,3,4-oxa…

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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) 4.15 7.8 -13.62 0 6 0 70 399.516 8 ↓

Analogs

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Popular Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone 1-(1-allyl-2,5-dimethyl-pyrrol-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) 4.33 7.99 -10.17 0 5 0 61 387.892 7 ↓

Parameters Provided:

ring.id = 2351
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 = 2351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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