UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(1R)-1,2-dimethylpropyl]-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole 5-[(1R)-1,2-dimethylpropyl]-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) 1.81 3.03 -35.34 2 4 1 56 210.301 3 ↓

Analogs

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Popular Name: 5-[(1S)-1,2-dimethylpropyl]-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole 5-[(1S)-1,2-dimethylpropyl]-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) 1.81 3.03 -35.18 2 4 1 56 210.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1,2-dimethylpropyl]-3-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole 5-[(1R)-1,2-dimethylpropyl]-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) 1.81 3.18 -34.82 2 4 1 56 210.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1,2-dimethylpropyl]-3-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole 5-[(1S)-1,2-dimethylpropyl]-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) 1.81 3.18 -34.98 2 4 1 56 210.301 3 ↓

Analogs

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Popular Name: 5-(methylsulfonylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole 5-(methylsulfonylmethyl)-3-[(2S)…

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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) -0.45 -1.92 -49.4 2 6 1 90 232.285 3 ↓

Analogs

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Popular Name: 5-(methylsulfonylmethyl)-3-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole 5-(methylsulfonylmethyl)-3-[(2R)…

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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) -0.45 -1.77 -46.91 2 6 1 90 232.285 3 ↓

Analogs

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Popular Name: 5-(2-methylsulfanylethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole 5-(2-methylsulfanylethyl)-3-[(2S…

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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) 0.88 2.54 -36.91 2 4 1 56 214.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-methylsulfanylethyl)-3-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole 5-(2-methylsulfanylethyl)-3-[(2R…

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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) 0.88 2.69 -36.74 2 4 1 56 214.314 4 ↓

Analogs

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Popular Name: 5-(methylsulfanylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole 5-(methylsulfanylmethyl)-3-[(2S)…

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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) 0.68 1.74 -37.76 2 4 1 56 200.287 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(methylsulfanylmethyl)-3-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole 5-(methylsulfanylmethyl)-3-[(2R)…

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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) 0.68 1.9 -36.4 2 4 1 56 200.287 3 ↓

Parameters Provided:

ring.id = 397506
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 = 397506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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