UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[1-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic 2-[1-[[5-(methoxymethyl)-1,3,4-o…

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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) 0.13 1.53 -53.82 0 6 -1 88 253.278 6 ↓
Lo Low (pH 4.5-6) 0.13 -0.46 -9.61 1 6 0 85 254.286 6 ↓

Analogs

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Popular Name: 2-[1-[[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic 2-[1-[[5-(2-propoxyethyl)-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) 1.22 4.07 -51.3 0 6 -1 88 295.359 9 ↓
Lo Low (pH 4.5-6) 1.22 2.08 -7.61 1 6 0 85 296.367 9 ↓

Analogs

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

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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) 2.53 3.6 -6.2 0 3 0 39 273.174 4 ↓

Analogs

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

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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) 2.53 3.59 -6 0 3 0 39 273.174 4 ↓

Analogs

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

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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 0.35 -43.05 3 4 1 67 210.301 4 ↓
Hi High (pH 8-9.5) -0.68 0.03 -5.14 2 4 0 65 209.293 4 ↓

Analogs

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

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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 0.34 -43.29 3 4 1 67 210.301 4 ↓
Hi High (pH 8-9.5) -0.68 0 -6.39 2 4 0 65 209.293 4 ↓

Analogs

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Popular Name: 2-(chloromethyl)-5-(cyclopentylmethyl)-1,3,4-oxadiazole 2-(chloromethyl)-5-(cyclopentylm…

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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) 1.53 2.09 -7.05 0 3 0 39 200.669 3 ↓

Parameters Provided:

ring.id = 21926
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 = 21926 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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