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

Analogs

38568610
38568610

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Popular Name: (E)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(4-nitrophenyl)prop-2-enamide (E)-N-[[(3R)-1,4-dioxaspiro[4.5]…

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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 7.89 -12.61 1 7 0 93 346.383 5 ↓

Analogs

38568609
38568609

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Popular Name: (E)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(4-nitrophenyl)prop-2-enamide (E)-N-[[(3S)-1,4-dioxaspiro[4.5]…

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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 7.91 -12.15 1 7 0 93 346.383 5 ↓

Analogs

38568634
38568634

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Popular Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]prop-2-enamide (E)-3-(3,4-dimethoxyphenyl)-N-[[…

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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) 3.20 6.39 -12.34 1 6 0 66 361.438 6 ↓

Analogs

38568633
38568633

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Popular Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]prop-2-enamide (E)-3-(3,4-dimethoxyphenyl)-N-[[…

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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) 3.20 6.41 -12 1 6 0 66 361.438 6 ↓

Analogs

38568688
38568688
6591224
6591224
6591240
6591240

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Popular Name: (E)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (E)-N-[[(3R)-1,4-dioxaspiro[4.5]…

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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) 3.18 6.33 -13.26 1 7 0 75 391.464 7 ↓

Analogs

6591224
6591224
6591240
6591240

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (E)-N-[[(3S)-1,4-dioxaspiro[4.5]…

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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) 3.18 6.35 -12.91 1 7 0 75 391.464 7 ↓

Parameters Provided:

ring.id = 590750
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 = 590750 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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