UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(2S,6R)-2,6-dimethyl-1-piperidyl]-[(3S,5R)-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazina [(2S,6R)-2,6-dimethyl-1-piperidy…

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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) 2.13 3.77 -12.55 1 7 0 79 395.525 3 ↓
Mid Mid (pH 6-8) 2.13 3.46 -45.81 0 7 -1 81 394.517 3 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethyl-1-piperidyl]-[(3S,5R)-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazina [(2S,6S)-2,6-dimethyl-1-piperidy…

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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) 2.13 4.13 -12.05 1 7 0 79 395.525 3 ↓
Mid Mid (pH 6-8) 2.13 3.84 -45.71 0 7 -1 81 394.517 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethyl-1-piperidyl]-[(3S,5R)-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazina [(2R,6R)-2,6-dimethyl-1-piperidy…

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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) 2.13 4.12 -11.96 1 7 0 79 395.525 3 ↓
Mid Mid (pH 6-8) 2.13 3.83 -45.46 0 7 -1 81 394.517 3 ↓

Analogs

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Popular Name: [(3S,5R)-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-(4-methyl-1-piperidyl)metha [(3S,5R)-5-(3-methoxyphenyl)-2-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) 1.71 3.58 -12.91 1 7 0 79 381.498 3 ↓
Mid Mid (pH 6-8) 1.71 3.29 -45.12 0 7 -1 81 380.49 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,5R)-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-(4-methyl-1-piperidyl)metha [(3R,5R)-5-(3-methoxyphenyl)-2-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) 1.71 4.91 -19.47 1 7 0 79 381.498 3 ↓
Mid Mid (pH 6-8) 1.71 4.62 -56.27 0 7 -1 81 380.49 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,5S)-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-(4-methyl-1-piperidyl)metha [(3S,5S)-5-(3-methoxyphenyl)-2-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) 1.71 4.95 -19.75 1 7 0 79 381.498 3 ↓
Mid Mid (pH 6-8) 1.71 4.65 -56.43 0 7 -1 81 380.49 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,5S)-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-(4-methyl-1-piperidyl)metha [(3R,5S)-5-(3-methoxyphenyl)-2-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) 1.71 3.61 -12.72 1 7 0 79 381.498 3 ↓
Mid Mid (pH 6-8) 1.71 3.31 -45.59 0 7 -1 81 380.49 3 ↓

Parameters Provided:

ring.id = 574644
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 = 574644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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