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

Analogs

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Popular Name: (2R)-2-(pyrrolidin-1-ium-1-ylmethyl)cyclododecanone (2R)-2-(pyrrolidin-1-ium-1-ylmet…

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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) 4.73 1.98 -38.36 1 2 1 21 266.449 2 ↓

Analogs

5855280
5855280
6482969
6482969

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Popular Name: [(1R)-2-ketocyclododecyl]methyl-dimethyl-ammonium [(1R)-2-ketocyclododecyl]methyl-…

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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) 4.33 2.77 -39.11 1 2 1 21 240.411 2 ↓

Analogs

5855280
5855280
6482969
6482969

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-ketocyclododecyl]methyl-dimethyl-ammonium [(1S)-2-ketocyclododecyl]methyl-…

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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) 4.33 2.77 -38.81 1 2 1 21 240.411 2 ↓

Analogs

32232540
32232540

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Popular Name: (2S)-2-(piperidin-1-ium-1-ylmethyl)cyclododecanone (2S)-2-(piperidin-1-ium-1-ylmeth…

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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) 5.23 2.43 -42.16 1 2 1 21 280.476 2 ↓

Analogs

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Popular Name: diethyl-[[(1R)-2-ketocyclododecyl]methyl]ammonium diethyl-[[(1R)-2-ketocyclododecy…

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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) 5.08 3.25 -41.74 1 2 1 21 268.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl-[[(1S)-2-ketocyclododecyl]methyl]ammonium diethyl-[[(1S)-2-ketocyclododecy…

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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) 5.08 3.2 -40.96 1 2 1 21 268.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: NC1153 NC1153

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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) 4.22 3.86 -108.21 2 3 2 25 298.515 4 ↓

Parameters Provided:

ring.id = 245583
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 = 245583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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