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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: azepan-1-yl-[1-(o-tolylmethyl)-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-(o-tolylmethyl)-4…

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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) 3.62 8.64 -17.93 0 6 0 70 411.527 3 ↓

Analogs

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Popular Name: azepan-1-yl-[1-(m-tolylmethyl)-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-(m-tolylmethyl)-4…

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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) 3.65 8.86 -23.81 0 6 0 70 411.527 3 ↓

Analogs

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Popular Name: azepan-1-yl-[4,4-dioxo-1-(p-tolylmethyl)benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[4,4-dioxo-1-(p-toly…

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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) 3.67 8.87 -23.94 0 6 0 70 411.527 3 ↓

Analogs

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Popular Name: azepan-1-yl-[1-[(3-methoxyphenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-[(3-methoxyphenyl…

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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) 3.26 7.49 -25.91 0 7 0 79 427.526 4 ↓

Analogs

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Popular Name: azepan-1-yl-[1-[(2-fluorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-[(2-fluorophenyl)…

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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) 3.34 8.07 -22.68 0 6 0 70 415.49 3 ↓

Analogs

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Popular Name: azepan-1-yl-[1-[(3-fluorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-[(3-fluorophenyl)…

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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) 3.36 8.67 -26.17 0 6 0 70 415.49 3 ↓

Analogs

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Popular Name: azepan-1-yl-[1-[(2-chlorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-[(2-chlorophenyl)…

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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) 3.85 8.59 -20.41 0 6 0 70 431.945 3 ↓

Analogs

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Popular Name: azepan-1-yl-[1-[(3-chlorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-[(3-chlorophenyl)…

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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) 3.88 9.12 -25.31 0 6 0 70 431.945 3 ↓

Analogs

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Popular Name: azepan-1-yl-[1-[(3-methoxyphenyl)methyl]-7-methyl-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-[(3-methoxyphenyl…

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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) 3.68 8.58 -24.52 0 7 0 79 441.553 4 ↓

Analogs

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Popular Name: 3-[[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-benzo[e][1,3,4]thiadiazin-1-yl]methyl]benzonitrile 3-[[3-(azepane-1-carbonyl)-7-met…

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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) 3.38 9.66 -28.51 0 7 0 94 436.537 3 ↓

Analogs

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Popular Name: azepan-1-yl-[1-[(2-fluorophenyl)methyl]-7-methyl-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-[(2-fluorophenyl)…

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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) 3.76 9.18 -24.09 0 6 0 70 429.517 3 ↓

Analogs

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Popular Name: azepan-1-yl-[1-[(3-fluorophenyl)methyl]-7-methyl-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-[(3-fluorophenyl)…

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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) 3.79 9.35 -25.01 0 6 0 70 429.517 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: azepan-1-yl-[1-[(4-fluorophenyl)methyl]-7-methyl-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone azepan-1-yl-[1-[(4-fluorophenyl)…

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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) 3.81 9.35 -25.15 0 6 0 70 429.517 3 ↓

Parameters Provided:

ring.id = 563003
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 = 563003 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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