UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[4-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-[(4-chlorophenyl)methyl]-2-[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) 4.56 10.18 -52.82 2 6 1 72 425.94 6 ↓

Analogs

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Popular Name: N-benzyl-2-[4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-benzyl-2-[4-[3-(p-tolyl)-1,2,4…

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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) 3.90 9.66 -50.47 2 6 1 72 391.495 6 ↓

Analogs

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Popular Name: N-benzyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-benzyl-2-[4-[3-(3-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) 3.59 9.06 -52.2 2 6 1 72 395.458 6 ↓

Analogs

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Popular Name: 2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-N-[(4-methoxyphenyl)methyl]acetamide 2-[4-[3-(3-fluorophenyl)-1,2,4-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) 3.65 8.36 -54.3 2 7 1 82 425.484 7 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-[(2-chlorophenyl)methyl]-2-[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) 4.25 9.48 -49.67 2 6 1 72 429.903 6 ↓

Analogs

4591540
4591540

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-[(2-chlorophenyl)methyl]-2-[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) 4.14 8.72 -50.13 2 7 1 82 441.939 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-[(4-chlorophenyl)methyl]-2-[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) 4.76 10.18 -53.82 2 6 1 72 446.358 6 ↓
Hi High (pH 8-9.5) 4.76 8 -15.46 1 6 0 71 445.35 6 ↓

Parameters Provided:

ring.id = 563114
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 = 563114 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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