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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R)-2-(hydroxymethyl)-1-piperidyl]-2-oxo-ethyl]cycloheptanecarboxylic 1-[2-[(2R)-2-(hydroxymethyl)-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) 1.94 6.79 -58.69 1 5 -1 81 296.387 4 ↓
Lo Low (pH 4.5-6) 1.94 4.91 -11.31 2 5 0 78 297.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2S)-2-(hydroxymethyl)-1-piperidyl]-2-oxo-ethyl]cycloheptanecarboxylic 1-[2-[(2S)-2-(hydroxymethyl)-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) 1.94 6.85 -56.15 1 5 -1 81 296.387 4 ↓
Lo Low (pH 4.5-6) 1.94 4.83 -10.7 2 5 0 78 297.395 4 ↓

Analogs

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Popular Name: 1-[2-[(3S)-3-hydroxy-1-piperidyl]-2-oxo-ethyl]cycloheptanecarboxylic 1-[2-[(3S)-3-hydroxy-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) 1.43 5.37 -62.18 1 5 -1 81 282.36 3 ↓
Lo Low (pH 4.5-6) 1.43 3.05 -15.72 2 5 0 78 283.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3R)-3-hydroxy-1-piperidyl]-2-oxo-ethyl]cycloheptanecarboxylic 1-[2-[(3R)-3-hydroxy-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) 1.43 5.38 -61.87 1 5 -1 81 282.36 3 ↓
Lo Low (pH 4.5-6) 1.43 3.07 -15.61 2 5 0 78 283.368 3 ↓

Analogs

35280986
35280986
35281345
35281345
35282216
35282216

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-ethyl-1-piperidyl)-2-oxo-ethyl]cycloheptanecarboxylic 1-[2-(4-ethyl-1-piperidyl)-2-oxo…

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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) 3.51 10 -61.34 0 4 -1 60 294.415 4 ↓
Lo Low (pH 4.5-6) 3.51 7.93 -12.56 1 4 0 58 295.423 4 ↓

Parameters Provided:

ring.id = 64593
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 = 64593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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