UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-N-methoxy-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (3R)-N-methoxy-N-methyl-1-(napht…

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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) 2.15 8.62 -11.75 0 5 0 50 326.396 3 ↓

Analogs

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Popular Name: (3S)-N-methoxy-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (3S)-N-methoxy-N-methyl-1-(napht…

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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) 2.15 9.34 -13.95 0 5 0 50 326.396 3 ↓

Analogs

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Popular Name: (3R)-N-(2-dimethylamino-2-oxo-ethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (3R)-N-(2-dimethylamino-2-oxo-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) 0.85 7.25 -15.54 1 6 0 70 367.449 4 ↓

Analogs

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Popular Name: (3S)-N-(2-dimethylamino-2-oxo-ethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (3S)-N-(2-dimethylamino-2-oxo-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) 0.85 7.22 -15.69 1 6 0 70 367.449 4 ↓

Analogs

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Popular Name: N-ethoxy-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide N-ethoxy-1-(4-methoxynaphthalene…

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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) 2.29 8.12 -22.17 1 6 0 68 356.422 5 ↓

Analogs

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Popular Name: N-(3-isopropoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide N-(3-isopropoxypropyl)-1-(naphth…

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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) 2.94 9.18 -18.65 1 5 0 59 382.504 7 ↓

Analogs

16912285
16912285

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Popular Name: N-[2-(diisopropylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide N-[2-(diisopropylamino)ethyl]-1-…

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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) 3.32 11.05 -49.95 2 5 1 54 410.582 7 ↓

Analogs

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Popular Name: ethyl 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) 2.15 6.61 -19.05 2 7 0 88 369.421 5 ↓

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(1-naphthyl)methanone [4-(2-aminoethyl)-1-piperidyl]-(…

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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 7.28 -52.74 3 3 1 48 283.395 3 ↓

Analogs

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Popular Name: [(3S,5R)-3,5-dimethyl-1-piperidyl]-(4-methoxy-1-naphthyl)methanone [(3S,5R)-3,5-dimethyl-1-piperidy…

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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) 3.70 9.21 -10.06 0 3 0 30 297.398 2 ↓

Analogs

5821760
5821760
5822078
5822078

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Popular Name: [(3S,5S)-3,5-dimethyl-1-piperidyl]-(4-methoxy-1-naphthyl)methanone [(3S,5S)-3,5-dimethyl-1-piperidy…

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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) 3.70 9.46 -10.14 0 3 0 30 297.398 2 ↓

Analogs

5821760
5821760
5822078
5822078

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Popular Name: [(3R,5R)-3,5-dimethyl-1-piperidyl]-(4-methoxy-1-naphthyl)methanone [(3R,5R)-3,5-dimethyl-1-piperidy…

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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) 3.70 9.46 -9.95 0 3 0 30 297.398 2 ↓

Parameters Provided:

ring.id = 30378
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 = 30378 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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