UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11818017
11818017

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Popular Name: 3-[(3S)-1-(3-allyloxybenzoyl)-3-piperidyl]-N-[(2-fluorophenyl)methyl]propanamide 3-[(3S)-1-(3-allyloxybenzoyl)-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) 3.52 0.02 -15.33 1 5 0 59 424.516 9 ↓

Analogs

11818016
11818016

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Popular Name: 3-[(3R)-1-(3-allyloxybenzoyl)-3-piperidyl]-N-[(2-fluorophenyl)methyl]propanamide 3-[(3R)-1-(3-allyloxybenzoyl)-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) 3.52 10.64 -13.3 1 5 0 59 424.516 9 ↓

Analogs

11821600
11821600

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Popular Name: N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-(3-dimethylaminobenzoyl)-3-piperidyl]propanamide N-[(3,4-difluorophenyl)methyl]-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) 3.06 0.36 -14.49 1 5 0 53 429.511 7 ↓

Analogs

11821599
11821599

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Popular Name: N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-(3-dimethylaminobenzoyl)-3-piperidyl]propanamide N-[(3,4-difluorophenyl)methyl]-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) 3.06 0.37 -14.92 1 5 0 53 429.511 7 ↓

Analogs

11840842
11840842

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Popular Name: 3-[(3S)-1-(3-ethynylbenzoyl)-3-piperidyl]-N-[(2-fluorophenyl)methyl]propanamide 3-[(3S)-1-(3-ethynylbenzoyl)-3-p…

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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) 2.58 11.07 -15.37 1 4 0 49 392.474 6 ↓

Analogs

11840840
11840840

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Popular Name: 3-[(3R)-1-(3-ethynylbenzoyl)-3-piperidyl]-N-[(2-fluorophenyl)methyl]propanamide 3-[(3R)-1-(3-ethynylbenzoyl)-3-p…

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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) 2.58 11.01 -13.58 1 4 0 49 392.474 6 ↓

Analogs

11844419
11844419
39635619
39635619
39635620
39635620

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Popular Name: N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(2,3-dimethoxybenzoyl)-3-piperidyl]propanamide N-[(2-chlorophenyl)methyl]-3-[(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) 3.72 -0.62 -18.45 1 6 0 68 444.959 8 ↓

Analogs

39635619
39635619
39635620
39635620
11844418
11844418

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Popular Name: N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(2,3-dimethoxybenzoyl)-3-piperidyl]propanamide N-[(2-chlorophenyl)methyl]-3-[(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) 3.72 -0.65 -17.4 1 6 0 68 444.959 8 ↓

Analogs

12228917
12228917

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Popular Name: 3-[(3S)-1-(4-acetamidobenzoyl)-3-piperidyl]-N-[(3-methoxyphenyl)methyl]propanamide 3-[(3S)-1-(4-acetamidobenzoyl)-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) 1.98 -2.29 -17.34 2 7 0 88 437.54 8 ↓

Analogs

12228911
12228911

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Popular Name: 3-[(3R)-1-(4-acetamidobenzoyl)-3-piperidyl]-N-[(3-methoxyphenyl)methyl]propanamide 3-[(3R)-1-(4-acetamidobenzoyl)-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) 1.98 -2.29 -17.4 2 7 0 88 437.54 8 ↓

Parameters Provided:

ring.id = 50940
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 = 50940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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