UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-3-[(3S)-3-piperidyl]propanamide N-[(1S)-2-(4-fluorophenyl)-1-met…

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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) 2.46 7.71 -45.4 3 3 1 46 293.406 6 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-3-[(3S)-3-piperidyl]propanamide N-[(1R)-2-(4-fluorophenyl)-1-met…

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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) 2.46 7.7 -45.16 3 3 1 46 293.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-3-[(3R)-3-piperidyl]propanamide N-[(1S)-2-(4-fluorophenyl)-1-met…

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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) 2.46 7.71 -45.18 3 3 1 46 293.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-3-[(3R)-3-piperidyl]propanamide N-[(1R)-2-(4-fluorophenyl)-1-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.46 7.7 -45.38 3 3 1 46 293.406 6 ↓

Analogs

40159518
40159518
464286
464286
6397885
6397885

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-[2-(4-fluorophenyl)ethyl]-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) 2.13 6.71 -46.13 3 3 1 46 279.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-fluorophenyl)ethyl]-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-[2-(4-fluorophenyl)ethyl]-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) 2.13 6.71 -46.13 3 3 1 46 279.379 6 ↓

Analogs

312138
312138
5720483
5720483

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-[2-(4-methoxyphenyl)ethyl]-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) 2.03 5.94 -46.3 3 4 1 55 291.415 7 ↓

Analogs

312138
312138
5720483
5720483

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-[2-(4-methoxyphenyl)ethyl]-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) 2.03 5.94 -46.3 3 4 1 55 291.415 7 ↓

Analogs

8369489
8369489
23692612
23692612
23692616
23692616

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-[2-(2-fluorophenyl)ethyl]-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) 2.09 6.68 -45.06 3 3 1 46 279.379 6 ↓

Analogs

8369489
8369489
23692612
23692612
23692616
23692616

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-fluorophenyl)ethyl]-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-[2-(2-fluorophenyl)ethyl]-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) 2.09 6.68 -45.31 3 3 1 46 279.379 6 ↓

Analogs

44431448
44431448
2071993
2071993

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Popular Name: N-phenethyl-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-phenethyl-3-[(3S)-3,4,5,6-tetr…

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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) 1.97 6.64 -44.41 3 3 1 46 261.389 6 ↓

Analogs

44431448
44431448
2071993
2071993

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenethyl-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-phenethyl-3-[(3R)-3,4,5,6-tetr…

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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) 1.97 6.64 -44.44 3 3 1 46 261.389 6 ↓

Parameters Provided:

ring.id = 15254
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 = 15254 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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