UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39637561
39637561
39637562
39637562
39637563
39637563
39637564
39637564
39637565
39637565

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Popular Name: (3R)-1-(4-chlorobenzoyl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide (3R)-1-(4-chlorobenzoyl)-N-[2-(3…

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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) 3.40 9.78 -12.17 1 4 0 49 388.87 5 ↓

Analogs

39637561
39637561
39637562
39637562
39637563
39637563
39637564
39637564
39637565
39637565

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-chlorobenzoyl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide (3S)-1-(4-chlorobenzoyl)-N-[2-(3…

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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) 3.40 9.8 -12.18 1 4 0 49 388.87 5 ↓

Analogs

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Popular Name: (3R)-1-[2-(difluoromethoxy)benzoyl]-N-[2-(m-tolyl)ethyl]piperidine-3-carboxamide (3R)-1-[2-(difluoromethoxy)benzo…

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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) 4.13 9.75 -14.84 1 5 0 59 416.468 7 ↓

Analogs

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Popular Name: (3S)-1-[2-(difluoromethoxy)benzoyl]-N-[2-(m-tolyl)ethyl]piperidine-3-carboxamide (3S)-1-[2-(difluoromethoxy)benzo…

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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) 4.13 9.76 -15.94 1 5 0 59 416.468 7 ↓

Analogs

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Popular Name: (3S)-1-benzoyl-N-[2-(3-hydroxyphenyl)ethyl]piperidine-3-carboxamide (3S)-1-benzoyl-N-[2-(3-hydroxyph…

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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) 2.08 6.32 -13.37 2 5 0 70 352.434 5 ↓

Analogs

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Popular Name: (3R)-1-benzoyl-N-[2-(3-hydroxyphenyl)ethyl]piperidine-3-carboxamide (3R)-1-benzoyl-N-[2-(3-hydroxyph…

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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) 2.08 6.32 -14.82 2 5 0 70 352.434 5 ↓

Analogs

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Popular Name: (3R)-1-(4-chlorobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide (3R)-1-(4-chlorobenzoyl)-N-[(2R)…

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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) 3.11 10.09 -44.53 2 6 1 63 444.983 7 ↓
Mid Mid (pH 6-8) 3.11 7.49 -11.81 1 6 0 62 443.975 7 ↓

Analogs

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Popular Name: (3R)-1-(4-chlorobenzoyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide (3R)-1-(4-chlorobenzoyl)-N-[(2S)…

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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) 3.11 10.11 -45.02 2 6 1 63 444.983 7 ↓
Mid Mid (pH 6-8) 3.11 7.71 -10.96 1 6 0 62 443.975 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-chlorobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide (3S)-1-(4-chlorobenzoyl)-N-[(2R)…

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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) 3.11 10.12 -44.5 2 6 1 63 444.983 7 ↓
Mid Mid (pH 6-8) 3.11 7.53 -11.83 1 6 0 62 443.975 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-chlorobenzoyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide (3S)-1-(4-chlorobenzoyl)-N-[(2S)…

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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) 3.11 10.16 -44.69 2 6 1 63 444.983 7 ↓
Mid Mid (pH 6-8) 3.11 7.74 -10.7 1 6 0 62 443.975 7 ↓

Analogs

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Popular Name: (3S)-N-[2-(2,4-dimethylphenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (3S)-N-[2-(2,4-dimethylphenyl)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) 3.58 10.41 -11.5 1 4 0 49 382.479 5 ↓

Parameters Provided:

ring.id = 173340
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 = 173340 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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