UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(2-thienylmethyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(2-thie…

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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) 2.43 3.11 -7.95 0 3 0 39 287.182 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(2-thienylmethyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(2-thie…

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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) 2.43 3.1 -7.7 0 3 0 39 287.182 4 ↓

Analogs

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Popular Name: (1S)-1-[5-(2-thienylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(2-thienylmethyl)-1,3,…

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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) -0.78 -0.14 -44.98 3 4 1 67 224.309 4 ↓
Hi High (pH 8-9.5) -0.78 -0.49 -8.15 2 4 0 65 223.301 4 ↓

Analogs

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Popular Name: (1R)-1-[5-(2-thienylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(2-thienylmethyl)-1,3,…

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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) -0.78 -0.15 -45.98 3 4 1 67 224.309 4 ↓
Hi High (pH 8-9.5) -0.78 -0.47 -6.91 2 4 0 65 223.301 4 ↓

Analogs

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Popular Name: 3-[5-(2-thienylmethyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(2-thienylmethyl)-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) 0.55 2.44 -44.4 0 5 -1 79 237.26 5 ↓

Analogs

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Popular Name: 4-[5-(2-thienylmethyl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(2-thienylmethyl)-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) 0.82 3.22 -49.39 0 5 -1 79 251.287 6 ↓

Analogs

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Popular Name: 5-[5-(2-thienylmethyl)-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-(2-thienylmethyl)-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) 1.33 4 -48.2 0 5 -1 79 265.314 7 ↓

Parameters Provided:

ring.id = 220245
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 = 220245 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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