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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: (7R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-(1,1-dioxo-1,4-thiazinan-…

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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) -0.21 2.19 -56.53 3 5 1 78 316.472 1 ↓
Mid Mid (pH 6-8) -0.21 1.87 -12.61 2 5 0 76 315.464 1 ↓
Lo Low (pH 4.5-6) -0.21 2.58 -115.18 4 5 2 79 317.48 1 ↓

Analogs

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Popular Name: (7S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-2-(1,1-dioxo-1,4-thiazinan-…

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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) -0.21 2.2 -56.26 3 5 1 78 316.472 1 ↓
Mid Mid (pH 6-8) -0.21 1.88 -11.71 2 5 0 76 315.464 1 ↓
Lo Low (pH 4.5-6) -0.21 2.59 -115.4 4 5 2 79 317.48 1 ↓

Analogs

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Popular Name: (7R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(1,1-dioxo-1,4-thiazinan-…

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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) -1.10 1.33 -55.81 3 5 1 78 288.418 1 ↓
Mid Mid (pH 6-8) -1.10 1 -12.94 2 5 0 76 287.41 1 ↓
Lo Low (pH 4.5-6) -1.10 1.71 -113.18 4 5 2 79 289.426 1 ↓

Analogs

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Popular Name: (7S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(1,1-dioxo-1,4-thiazinan-…

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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) -1.10 1.32 -55.63 3 5 1 78 288.418 1 ↓
Mid Mid (pH 6-8) -1.10 0.99 -12.09 2 5 0 76 287.41 1 ↓
Lo Low (pH 4.5-6) -1.10 1.7 -113.4 4 5 2 79 289.426 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 2.05 3.95 -50.61 2 5 1 67 330.499 2 ↓
Hi High (pH 8-9.5) 2.05 2.53 -12.57 1 5 0 62 329.491 2 ↓
Mid Mid (pH 6-8) 2.05 4.33 -108.71 3 5 2 68 331.507 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 2.05 3.96 -50.34 2 5 1 67 330.499 2 ↓
Hi High (pH 8-9.5) 2.05 2.54 -11.56 1 5 0 62 329.491 2 ↓
Mid Mid (pH 6-8) 2.05 4.34 -108.9 3 5 2 68 331.507 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 1.16 3.07 -50.1 2 5 1 67 302.445 2 ↓
Hi High (pH 8-9.5) 1.16 1.66 -11.97 1 5 0 62 301.437 2 ↓
Lo Low (pH 4.5-6) 1.16 3.45 -107 3 5 2 68 303.453 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 1.16 3.07 -49.85 2 5 1 67 302.445 2 ↓
Hi High (pH 8-9.5) 1.16 1.66 -13.02 1 5 0 62 301.437 2 ↓
Lo Low (pH 4.5-6) 1.16 3.45 -107.23 3 5 2 68 303.453 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 1.53 3.91 -48.65 2 5 1 67 316.472 3 ↓
Hi High (pH 8-9.5) 1.53 2.58 -11.79 1 5 0 62 315.464 3 ↓
Lo Low (pH 4.5-6) 1.53 4.3 -106.53 3 5 2 68 317.48 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 1.53 3.92 -48.38 2 5 1 67 316.472 3 ↓
Hi High (pH 8-9.5) 1.53 2.58 -12.89 1 5 0 62 315.464 3 ↓
Lo Low (pH 4.5-6) 1.53 4.31 -106.72 3 5 2 68 317.48 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 2.04 4.68 -49.3 2 5 1 67 330.499 4 ↓
Hi High (pH 8-9.5) 2.04 3.35 -11.67 1 5 0 62 329.491 4 ↓
Lo Low (pH 4.5-6) 2.04 5.07 -108.35 3 5 2 68 331.507 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 2.04 4.68 -49.11 2 5 1 67 330.499 4 ↓
Hi High (pH 8-9.5) 2.04 3.34 -12.76 1 5 0 62 329.491 4 ↓
Lo Low (pH 4.5-6) 2.04 5.07 -108.55 3 5 2 68 331.507 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 1.49 1.64 -13.27 1 5 0 71 316.448 1 ↓
Mid Mid (pH 6-8) 1.49 2.02 -40.65 2 5 1 72 317.456 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 1.49 1.65 -13.26 1 5 0 71 316.448 1 ↓
Mid Mid (pH 6-8) 1.49 2.03 -40.63 2 5 1 72 317.456 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 0.60 0.74 -13.66 1 5 0 71 288.394 1 ↓
Lo Low (pH 4.5-6) 0.60 1.12 -40.61 2 5 1 72 289.402 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-(1,1-dioxo-1,4-thiazinan-…

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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) 0.60 0.73 -13.72 1 5 0 71 288.394 1 ↓
Lo Low (pH 4.5-6) 0.60 1.11 -40.54 2 5 1 72 289.402 1 ↓

Parameters Provided:

ring.id = 158312
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 = 158312 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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