UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42975756
42975756

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Popular Name: 2-(4-amino-1-piperidyl)-1-(azocan-1-yl)ethanone 2-(4-amino-1-piperidyl)-1-(azoca…

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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) 0.88 3.77 -44.67 3 4 1 51 254.398 2 ↓
Lo Low (pH 4.5-6) 0.88 5.95 -107.6 4 4 2 52 255.406 2 ↓

Analogs

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Popular Name: 1-[2-(azocan-1-yl)-2-oxo-ethyl]-4-methyl-piperidine-4-carboxylic 1-[2-(azocan-1-yl)-2-oxo-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) 1.88 9.49 -63.48 1 5 0 65 296.411 3 ↓
Hi High (pH 8-9.5) 1.88 7.35 -56.16 0 5 -1 64 295.403 3 ↓

Analogs

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Popular Name: (3S)-1-[2-(azocan-1-yl)-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-(azocan-1-yl)-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) 1.88 9.68 -45.78 1 5 0 65 296.411 3 ↓
Hi High (pH 8-9.5) 1.88 7.9 -48.52 0 5 -1 64 295.403 3 ↓

Analogs

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Popular Name: (3R)-1-[2-(azocan-1-yl)-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-(azocan-1-yl)-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) 1.88 9.64 -45.37 1 5 0 65 296.411 3 ↓
Hi High (pH 8-9.5) 1.88 7.87 -48.61 0 5 -1 64 295.403 3 ↓

Analogs

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Popular Name: 1-[2-(azocan-1-yl)-2-oxo-ethyl]-N-methyl-piperidine-4-carboxamide 1-[2-(azocan-1-yl)-2-oxo-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) 1.49 6.84 -49.82 2 5 1 54 296.435 3 ↓
Mid Mid (pH 6-8) 1.49 4.68 -16.23 1 5 0 53 295.427 3 ↓

Analogs

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Popular Name: 1-(azocan-1-yl)-2-(4-methoxy-1-piperidyl)ethanone 1-(azocan-1-yl)-2-(4-methoxy-1-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) 1.25 7.67 -39.62 1 4 1 34 269.409 3 ↓
Mid Mid (pH 6-8) 1.25 5.52 -9.01 0 4 0 33 268.401 3 ↓

Analogs

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Popular Name: 2-[4-(2-aminoethyl)-1-piperidyl]-1-(azocan-1-yl)ethanone 2-[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) 1.64 7.32 -96.97 4 4 2 52 283.46 4 ↓
Hi High (pH 8-9.5) 1.64 5.15 -47.69 3 4 1 51 282.452 4 ↓

Analogs

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Popular Name: 1-(azocan-1-yl)-2-[4-[2-(methylamino)ethyl]-1-piperidyl]ethanone 1-(azocan-1-yl)-2-[4-[2-(methyla…

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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 9.16 -93.1 3 4 2 41 297.487 5 ↓
Hi High (pH 8-9.5) 2.62 7.01 -43.26 2 4 1 40 296.479 5 ↓

Analogs

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Popular Name: 1-(azocan-1-yl)-2-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]ethanone 1-(azocan-1-yl)-2-[(2S)-2-[2-(me…

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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) 2.56 7.27 -44.47 2 4 1 40 296.479 5 ↓

Analogs

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Popular Name: 1-(azocan-1-yl)-2-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]ethanone 1-(azocan-1-yl)-2-[(2R)-2-[2-(me…

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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) 2.56 6.96 -49.67 2 4 1 40 296.479 5 ↓

Parameters Provided:

ring.id = 110577
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 = 110577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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