UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 1.61 5.8 -11.33 0 6 0 59 326.437 5 ↓
Lo Low (pH 4.5-6) 1.61 7.98 -39.79 1 6 1 60 327.445 5 ↓

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) 1.61 5.56 -11.53 0 6 0 59 326.437 5 ↓
Lo Low (pH 4.5-6) 1.61 8.01 -38.89 1 6 1 60 327.445 5 ↓

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) 1.61 5.74 -10.37 0 6 0 59 326.437 5 ↓
Lo Low (pH 4.5-6) 1.61 7.92 -38.58 1 6 1 60 327.445 5 ↓

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) 1.61 6.12 -10.42 0 6 0 59 326.437 5 ↓
Lo Low (pH 4.5-6) 1.61 7.97 -38.94 1 6 1 60 327.445 5 ↓

Analogs

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Popular Name: 1-(1-piperidyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone 1-(1-piperidyl)-2-[(2S)-2-(trifl…

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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) 1.36 3.55 -7.71 0 4 0 33 280.29 3 ↓

Analogs

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Popular Name: 1-(1-piperidyl)-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone 1-(1-piperidyl)-2-[(2R)-2-(trifl…

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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) 1.36 3.55 -7.74 0 4 0 33 280.29 3 ↓

Analogs

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Popular Name: 2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-1-(1-piperidyl)ethanone 2-[(2R)-2-(dimethylaminomethyl)m…

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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) 0.46 4.56 -38.56 1 5 1 37 270.397 4 ↓
Hi High (pH 8-9.5) 0.46 2.1 -8.91 0 5 0 36 269.389 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-(dimethylaminomethyl)morpholin-4-yl]-1-(1-piperidyl)ethanone 2-[(2S)-2-(dimethylaminomethyl)m…

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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) 0.46 4.59 -38.48 1 5 1 37 270.397 4 ↓
Hi High (pH 8-9.5) 0.46 2.06 -8.82 0 5 0 36 269.389 4 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-butanoyl]piperidine-3-carboxamide (3S)-1-[(2S)-2-[(2S,6R)-2,6-dime…

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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 2.36 -16.27 2 6 0 76 325.453 4 ↓
Lo Low (pH 4.5-6) 0.88 4.24 -41.18 3 6 1 77 326.461 4 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-butanoyl]piperidine-3-carboxamide (3S)-1-[(2S)-2-[(2S,6S)-2,6-dime…

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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 2.64 -16.08 2 6 0 76 325.453 4 ↓
Lo Low (pH 4.5-6) 0.88 4.2 -41.45 3 6 1 77 326.461 4 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-butanoyl]piperidine-3-carboxamide (3S)-1-[(2S)-2-[(2R,6R)-2,6-dime…

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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 2.63 -16.15 2 6 0 76 325.453 4 ↓
Lo Low (pH 4.5-6) 0.88 4.21 -41.02 3 6 1 77 326.461 4 ↓

Analogs

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Popular Name: (3S)-1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]piperidine-3-carboxamide (3S)-1-[2-[(2S,6S)-2,6-dimethylm…

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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) -0.23 0.8 -11.34 2 6 0 76 283.372 3 ↓
Lo Low (pH 4.5-6) -0.23 2.67 -46.97 3 6 1 77 284.38 3 ↓

Parameters Provided:

ring.id = 28588
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 = 28588 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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