UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-methyl-2,6-diazabicyclo[4.4.0]deca 3-[[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) 4.70 7.04 -15.68 0 6 0 73 378.457 4 ↓
Lo Low (pH 4.5-6) 4.70 7.45 -39.43 1 6 1 75 379.465 4 ↓

Analogs

7159329
7159329

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Popular Name: 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyrido[2,1-b]pyrimidin-4-one 2-[[5-(3,5-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) 4.30 6.51 -16.29 0 6 0 73 364.43 4 ↓
Lo Low (pH 4.5-6) 4.30 6.91 -40.31 1 6 1 75 365.438 4 ↓

Analogs

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Popular Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyrido[2,1-b]pyrimidin-4-one 2-[[5-(4-tert-butylphenyl)-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) 5.18 7.57 -15.45 0 6 0 73 392.484 5 ↓

Analogs

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Popular Name: 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyrido[2,1-b]pyrimidin-4-one 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) 3.86 5.84 -19.61 0 7 0 83 380.429 6 ↓
Lo Low (pH 4.5-6) 3.86 6.24 -42.4 1 7 1 84 381.437 6 ↓

Analogs

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Popular Name: 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyrido[2,1-b]pyrimidin-4-one 2-[[5-(3-chlorophenyl)-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) 4.13 5.69 -16.29 0 6 0 73 370.821 4 ↓
Lo Low (pH 4.5-6) 4.13 6.1 -41.37 1 6 1 75 371.829 4 ↓

Analogs

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Popular Name: 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-pyrido[2,1-b]pyrimidin-4-one 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) 4.26 6.57 -18.61 0 7 0 83 394.456 6 ↓

Analogs

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Popular Name: 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-pyrido[2,1-b]pyrimidin-4-one 2-[[5-(3-chlorophenyl)-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) 3.97 6.29 -15.53 0 6 0 73 384.848 4 ↓
Lo Low (pH 4.5-6) 3.97 6.7 -40.09 1 6 1 75 385.856 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-pyrido[2,1-b]pyrimidin-4-one 2-[[5-(3-chlorophenyl)-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) 4.53 6.35 -15.46 0 6 0 73 384.848 4 ↓
Lo Low (pH 4.5-6) 4.53 6.75 -40.4 1 6 1 75 385.856 4 ↓

Parameters Provided:

ring.id = 2408
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 = 2408 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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