UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-[3-(2-thienyl)propyl]-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-[3-(2-t…

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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) 2.72 4.66 -8.93 0 3 0 39 315.236 6 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-[3-(2-thienyl)propyl]-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-[3-(2-t…

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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) 2.72 4.65 -8.77 0 3 0 39 315.236 6 ↓

Analogs

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

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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) -0.48 1.41 -45.92 3 4 1 67 252.363 6 ↓
Hi High (pH 8-9.5) -0.48 1.06 -9.18 2 4 0 65 251.355 6 ↓

Analogs

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

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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) -0.48 1.4 -46.52 3 4 1 67 252.363 6 ↓
Hi High (pH 8-9.5) -0.48 1.08 -7.91 2 4 0 65 251.355 6 ↓

Analogs

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Popular Name: 3-[5-[3-(2-thienyl)propyl]-1,3,4-oxadiazol-2-yl]propanoic 3-[5-[3-(2-thienyl)propyl]-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) 0.84 3.99 -45.6 0 5 -1 79 265.314 7 ↓

Analogs

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Popular Name: 4-[5-[3-(2-thienyl)propyl]-1,3,4-oxadiazol-2-yl]butanoic 4-[5-[3-(2-thienyl)propyl]-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) 1.11 4.77 -50.39 0 5 -1 79 279.341 8 ↓

Analogs

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Popular Name: 5-[5-[3-(2-thienyl)propyl]-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-[3-(2-thienyl)propyl]-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) 1.62 5.56 -49.27 0 5 -1 79 293.368 9 ↓

Parameters Provided:

ring.id = 38730
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 = 38730 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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