UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5794593
5794593
4925984
4925984

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Popular Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-thia-1,5-diazabicyclo[4.3.0]nona-3 4-[[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) 4.04 -2.16 -14.33 0 6 0 73 370.459 4 ↓

Analogs

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Popular Name: N,N-diethyl-3-[5-[(2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methylsulfanyl]-1,3,4-o N,N-diethyl-3-[5-[(2-oxo-7-thia-…

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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) 3.25 -6.38 -20.31 0 9 0 110 477.593 8 ↓

Analogs

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Popular Name: 3-methyl-7-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiazolo[2,3-b]pyrimidin-5-one 3-methyl-7-[[5-(4-nitrophenyl)-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) 3.39 5.82 -14.62 0 9 0 119 401.429 5 ↓

Analogs

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Popular Name: 7-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiazolo[2,3-b]pyrimidin-5-one 7-[[5-(2-bromophenyl)-1,3,4-oxad…

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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) 3.97 5.15 -15.24 0 6 0 73 421.301 4 ↓

Analogs

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Popular Name: 7-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiazolo[2,3-b]pyrimidin-5-one 7-[[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) 3.60 5.1 -17.56 0 7 0 83 386.458 6 ↓
Mid Mid (pH 6-8) 3.60 5.51 -41.42 1 7 1 84 387.466 6 ↓

Parameters Provided:

ring.id = 2407
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 = 2407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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