UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-methyl-4-(2-naphthyl)piperidine 4-methyl-4-(2-naphthyl)piperidine

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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) 3.55 8.29 -42.99 2 1 1 17 226.343 1 ↓

Analogs

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Popular Name: 4-(6-methoxy-2-naphthyl)-4-methyl-piperidine 4-(6-methoxy-2-naphthyl)-4-methy…

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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) 3.59 7.58 -45.31 2 2 1 26 256.369 2 ↓

Analogs

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Popular Name: 3-ethoxy-1-[(3S,4S)-3-hydroxy-4-(2-naphthyl)-1-piperidyl]propan-1-one 3-ethoxy-1-[(3S,4S)-3-hydroxy-4-…

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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) 3.03 6.88 -10.36 1 4 0 50 327.424 5 ↓

Analogs

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Popular Name: 1-[(3S,4S)-3-hydroxy-4-(2-naphthyl)-1-piperidyl]-2-methylsulfanyl-ethanone 1-[(3S,4S)-3-hydroxy-4-(2-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) 2.93 7.32 -13.11 1 3 0 41 315.438 3 ↓

Analogs

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Popular Name: 2-amino-1-[(3S,4S)-3-hydroxy-4-(2-naphthyl)-1-piperidyl]-2-methyl-propan-1-one 2-amino-1-[(3S,4S)-3-hydroxy-4-(…

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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) 2.62 4.19 -46.34 4 4 1 68 313.421 2 ↓
Hi High (pH 8-9.5) 2.62 4.67 -9.7 3 4 0 67 312.413 2 ↓

Analogs

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Popular Name: 1-[(3S,4S)-3-hydroxy-4-(2-naphthyl)-1-piperidyl]-2-(2-methoxyethoxy)ethanone 1-[(3S,4S)-3-hydroxy-4-(2-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) 2.18 6.44 -16.46 1 5 0 59 343.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,4S)-3-hydroxy-4-(2-naphthyl)-1-piperidyl]-2-(methylamino)ethanone 1-[(3S,4S)-3-hydroxy-4-(2-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) 2.19 5.45 -47.91 3 4 1 57 299.394 3 ↓

Parameters Provided:

ring.id = 316964
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 = 316964 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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