UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5S)-5-isopropyl-3-phenyl-4,5-dihydro-1,2,4-oxadiazole (5S)-5-isopropyl-3-phenyl-4,5-di…

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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) 1.86 -0.62 -7.44 1 3 0 33 190.246 2 ↓

Analogs

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Popular Name: (5R)-5-isopropyl-3-phenyl-4,5-dihydro-1,2,4-oxadiazole (5R)-5-isopropyl-3-phenyl-4,5-di…

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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) 1.86 -0.83 -7.59 1 3 0 33 190.246 2 ↓

Analogs

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Popular Name: (5S)-5-ethyl-3-phenyl-4,5-dihydro-1,2,4-oxadiazole (5S)-5-ethyl-3-phenyl-4,5-dihydr…

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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) 1.62 4 -7.81 1 3 0 34 176.219 2 ↓
Lo Low (pH 4.5-6) 1.62 3.84 -26.67 2 3 1 35 177.227 2 ↓

Analogs

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Popular Name: (5R)-5-ethyl-3-phenyl-4,5-dihydro-1,2,4-oxadiazole (5R)-5-ethyl-3-phenyl-4,5-dihydr…

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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) 1.62 4 -7.81 1 3 0 34 176.219 2 ↓
Lo Low (pH 4.5-6) 1.62 3.84 -26.65 2 3 1 35 177.227 2 ↓

Analogs

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Popular Name: 3-[1-[[(5R)-5-tert-butyl-4,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]-4-piperidyl]-1H-benzimidazol-2-one 3-[1-[[(5R)-5-tert-butyl-4,5-dih…

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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) 2.77 5.55 -17.39 2 7 0 75 357.458 4 ↓
Lo Low (pH 4.5-6) 2.77 7.75 -50.44 3 7 1 76 358.466 4 ↓

Analogs

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Popular Name: 3-[(5S)-3-(3-pyridyl)-4,5-dihydro-1,2,4-oxadiazol-5-yl]-N-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]propa 3-[(5S)-3-(3-pyridyl)-4,5-dihydr…

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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) -0.22 3.73 -59.92 2 10 -1 136 363.361 6 ↓
Ref Reference (pH 7) -0.22 2.95 -22.68 3 10 0 134 364.369 6 ↓
Mid Mid (pH 6-8) -0.41 5 -20.49 3 10 0 130 364.369 6 ↓

Parameters Provided:

ring.id = 243697
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 = 243697 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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