UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-4-piperidyl]methanesulfonamide N-[1-[3-(3-phenyl-1,2,4-oxadiazo…

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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) 1.40 2.73 -21.49 1 8 0 105 378.454 6 ↓

Analogs

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Popular Name: (3S)-1-[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyethyl)-N-methyl-piperid (3S)-1-[3-[3-(4-isopropylphenyl)…

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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) 3.47 8.64 -13.07 0 8 0 89 442.56 9 ↓

Analogs

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Popular Name: (3R)-1-[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyethyl)-N-methyl-piperid (3R)-1-[3-[3-(4-isopropylphenyl)…

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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) 3.47 8.69 -13.18 0 8 0 89 442.56 9 ↓

Analogs

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Popular Name: N-[[(3S)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-piperidyl]methyl]-2-methyl-propa N-[[(3S)-1-[3-[3-(4-fluorophenyl…

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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) 3.01 7.31 -13.73 1 7 0 88 402.47 7 ↓

Analogs

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Popular Name: N-[[(3R)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-piperidyl]methyl]-2-methyl-propa N-[[(3R)-1-[3-[3-(4-fluorophenyl…

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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) 3.01 7.32 -13.61 1 7 0 88 402.47 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.97 8.43 -16.01 0 7 0 86 375.4 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.97 8.43 -15.9 0 7 0 86 375.4 7 ↓

Parameters Provided:

ring.id = 6802
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 = 6802 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6802&filter.purchasability=annotated

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