UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-4-vinyl-benzamide N-[[1-[2-(2-fluorophenyl)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) 4.48 3.08 -39.45 1 3 1 25 381.515 7 ↓

Analogs

34697971
34697971
34697972
34697972
34697973
34697973
34697974
34697974
34699149
34699149

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Popular Name: 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]-4-piperidyl]methyl]benzamide 2,4-difluoro-N-methyl-N-[[1-[2-[…

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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) 4.64 13.96 -52.86 1 3 1 25 441.464 7 ↓

Analogs

12005624
12005624

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Popular Name: N-[[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]methyl]-N,3-dimethyl-benzamide N-[[1-[2-(4-methoxyphenyl)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) 3.99 2 -49.92 1 4 1 34 381.54 7 ↓

Analogs

34697886
34697886
34697887
34697887
34697888
34697888
34697889
34697889
34698011
34698011

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Popular Name: 3-methoxy-N,4-dimethyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]-4-piperidyl]methyl]benzamide 3-methoxy-N,4-dimethyl-N-[[1-[2-…

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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) 4.82 13.82 -46.32 1 4 1 34 449.537 8 ↓

Analogs

39636289
39636289
39636290
39636290
39636323
39636323
39636324
39636324
39636355
39636355

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Popular Name: 3-chloro-4-fluoro-N-[[1-[2-(2-methoxyphenyl)ethyl]-4-piperidyl]methyl]-N-methyl-benzamide 3-chloro-4-fluoro-N-[[1-[2-(2-me…

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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) 4.29 2.31 -38.87 1 4 1 34 419.948 7 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chlorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-4-vinyl-benzamide N-[[1-[2-(4-chlorophenyl)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) 5.04 2.34 -43.82 1 3 1 25 397.97 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-chlorophenyl)ethyl]-4-piperidyl]methyl]-2,3-difluoro-N-methyl-benzamide N-[[1-[2-(4-chlorophenyl)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) 4.42 3.05 -57.2 1 3 1 25 407.912 6 ↓

Analogs

34698199
34698199
34698200
34698200
34698202
34698202

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Popular Name: N-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-4-vinyl-benzamide N-[[1-[2-(3-fluorophenyl)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) 4.50 3.22 -43.72 1 3 1 25 381.515 7 ↓

Analogs

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Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]-4-piperidyl]methyl]-N,2,4-trimethyl-benzamide N-[[1-[2-(2-fluorophenyl)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) 4.45 2.95 -38.97 1 3 1 25 383.531 6 ↓

Parameters Provided:

ring.id = 46195
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 = 46195 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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