UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[5-[[(1S,2R,4R)-norbornan-2-yl]methyl]-1,3,4-oxadiazol-2-yl]propanoic 3-[5-[[(1S,2R,4R)-norbornan-2-yl…

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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) 0.79 3.9 -43.63 0 5 -1 79 249.29 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[[(1R,2R,4S)-norbornan-2-yl]methyl]-1,3,4-oxadiazol-2-yl]propanoic 3-[5-[[(1R,2R,4S)-norbornan-2-yl…

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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) 0.79 3.84 -43.32 0 5 -1 79 249.29 5 ↓

Analogs

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Popular Name: 4-[5-[[(1S,2R,4R)-norbornan-2-yl]methyl]-1,3,4-oxadiazol-2-yl]butanoic 4-[5-[[(1S,2R,4R)-norbornan-2-yl…

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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) 1.06 4.69 -48.29 0 5 -1 79 263.317 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[[(1R,2R,4S)-norbornan-2-yl]methyl]-1,3,4-oxadiazol-2-yl]butanoic 4-[5-[[(1R,2R,4S)-norbornan-2-yl…

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Activity (Go SEA)

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) 1.06 4.62 -48.11 0 5 -1 79 263.317 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-[[(1S,2R,4R)-norbornan-2-yl]methyl]-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-[[(1S,2R,4R)-norbornan-2-yl…

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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) 1.56 5.47 -46.88 0 5 -1 79 277.344 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-[[(1R,2R,4S)-norbornan-2-yl]methyl]-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-[[(1R,2R,4S)-norbornan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.56 5.4 -46.59 0 5 -1 79 277.344 7 ↓

Parameters Provided:

ring.id = 576055
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 = 576055 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=576055&filter.purchasability=annotated

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