UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11817538
11817538
39635009
39635009
39635010
39635010

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Popular Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]-3-piperidyl]methyl]-2-(4-methoxyphenyl)-N-methyl-acetamide N-[[(3R)-1-[2-(4-chlorophenyl)et…

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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) 4.81 1.87 -48.15 1 4 1 34 415.985 8 ↓

Analogs

39635009
39635009
39635010
39635010
11817537
11817537

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Popular Name: N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]-3-piperidyl]methyl]-2-(4-methoxyphenyl)-N-methyl-acetamide N-[[(3S)-1-[2-(4-chlorophenyl)et…

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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) 4.81 1.72 -50.15 1 4 1 34 415.985 8 ↓

Analogs

11841036
11841036

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Popular Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]-3-piperidyl]methyl]-2-(2-methoxyphenyl)-N-methyl-acetamide N-[[(3R)-1-[2-(4-fluorophenyl)et…

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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 2.84 -47.99 1 4 1 34 399.53 8 ↓

Analogs

11841033
11841033

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Popular Name: N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]-3-piperidyl]methyl]-2-(2-methoxyphenyl)-N-methyl-acetamide N-[[(3S)-1-[2-(4-fluorophenyl)et…

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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 2.73 -48.79 1 4 1 34 399.53 8 ↓

Analogs

12223762
12223762
34697898
34697898
34697899
34697899
34697900
34697900
34697901
34697901

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Popular Name: 2-(4-methoxyphenyl)-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-piperidyl]methyl]acet 2-(4-methoxyphenyl)-N-methyl-N-[…

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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) 5.00 4.18 -49.4 1 4 1 34 449.537 9 ↓

Analogs

34697898
34697898
34697899
34697899
34697900
34697900
34697901
34697901
34698020
34698020

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Popular Name: 2-(4-methoxyphenyl)-N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-piperidyl]methyl]acet 2-(4-methoxyphenyl)-N-methyl-N-[…

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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) 5.00 4.26 -51.5 1 4 1 34 449.537 9 ↓

Parameters Provided:

ring.id = 50418
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 = 50418 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=50418&filter.purchasability=annotated

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