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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3S,5R)-N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (3S,5R)-N,N-diethyl-5-(4-fluorop…

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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) 1.45 3.58 -14.49 1 6 0 70 343.424 4 ↓
Mid Mid (pH 6-8) 1.45 3.29 -43.02 0 6 -1 72 342.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (3R,5R)-N,N-diethyl-5-(4-fluorop…

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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) 1.45 4.9 -17.62 1 6 0 70 343.424 4 ↓
Mid Mid (pH 6-8) 1.45 4.61 -51.05 0 6 -1 72 342.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (3S,5S)-N,N-diethyl-5-(4-fluorop…

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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) 1.45 5.02 -18.93 1 6 0 70 343.424 4 ↓
Mid Mid (pH 6-8) 1.45 4.72 -51.56 0 6 -1 72 342.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (3R,5S)-N,N-diethyl-5-(4-fluorop…

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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) 1.45 3.63 -13.54 1 6 0 70 343.424 4 ↓
Mid Mid (pH 6-8) 1.45 3.33 -42.39 0 6 -1 72 342.416 4 ↓

Analogs

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Popular Name: (3S,5R)-N-ethyl-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (3S,5R)-N-ethyl-5-(3-methoxyphen…

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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) 0.69 -0.12 -13.67 2 7 0 88 327.406 4 ↓
Mid Mid (pH 6-8) 0.69 -0.42 -44.86 1 7 -1 90 326.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-N-ethyl-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (3R,5R)-N-ethyl-5-(3-methoxyphen…

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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) 0.69 1.47 -19.99 2 7 0 88 327.406 4 ↓
Mid Mid (pH 6-8) 0.69 1.17 -53.86 1 7 -1 90 326.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-N-ethyl-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (3S,5S)-N-ethyl-5-(3-methoxyphen…

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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) 0.69 1.5 -20.22 2 7 0 88 327.406 4 ↓
Mid Mid (pH 6-8) 0.69 1.2 -53.97 1 7 -1 90 326.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-N-ethyl-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (3R,5S)-N-ethyl-5-(3-methoxyphen…

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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) 0.69 -0.06 -13.24 2 7 0 88 327.406 4 ↓
Mid Mid (pH 6-8) 0.69 -0.36 -44.65 1 7 -1 90 326.398 4 ↓

Parameters Provided:

ring.id = 574775
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 = 574775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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