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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)-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-methyl-2-(phenoxymethyl)-…

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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) 3.05 6.54 -44.55 2 3 1 39 275.397 4 ↓
Hi High (pH 8-9.5) 3.05 5.13 -6.69 1 3 0 34 274.389 4 ↓

Analogs

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

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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) 3.05 6.53 -43.81 2 3 1 39 275.397 4 ↓
Hi High (pH 8-9.5) 3.05 5.11 -8.32 1 3 0 34 274.389 4 ↓

Analogs

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Popular Name: (7R)-N-ethyl-2-(phenoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-ethyl-2-(phenoxymethyl)-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) 3.43 7.4 -43.07 2 3 1 39 289.424 5 ↓
Hi High (pH 8-9.5) 3.43 6.06 -6.51 1 3 0 34 288.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N-ethyl-2-(phenoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-ethyl-2-(phenoxymethyl)-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) 3.43 7.39 -42.35 2 3 1 39 289.424 5 ↓
Hi High (pH 8-9.5) 3.43 6.03 -8.12 1 3 0 34 288.416 5 ↓

Analogs

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

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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) 3.93 8.15 -43.7 2 3 1 39 303.451 6 ↓
Hi High (pH 8-9.5) 3.93 6.81 -6.41 1 3 0 34 302.443 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.93 8.15 -42.96 2 3 1 39 303.451 6 ↓
Hi High (pH 8-9.5) 3.93 6.8 -7.99 1 3 0 34 302.443 6 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-(phenoxymeth…

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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) 1.69 5.67 -51.15 3 3 1 50 289.424 3 ↓
Mid Mid (pH 6-8) 1.69 5.33 -7.42 2 3 0 48 288.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.69 5.67 -50.15 3 3 1 50 289.424 3 ↓
Mid Mid (pH 6-8) 1.69 5.34 -6.25 2 3 0 48 288.416 3 ↓

Analogs

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

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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) 3.94 7.42 -45 2 3 1 39 303.451 4 ↓
Hi High (pH 8-9.5) 3.94 6 -7.61 1 3 0 34 302.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.94 7.43 -44.08 2 3 1 39 303.451 4 ↓
Hi High (pH 8-9.5) 3.94 6.01 -6.22 1 3 0 34 302.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(phenoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-(phenoxymethyl)-4,5,6,7-t…

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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) 2.50 4.2 -8.11 1 3 0 42 261.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(phenoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-(phenoxymethyl)-4,5,6,7-t…

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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) 2.50 4.2 -8.47 1 3 0 42 261.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.39 5.11 -7.62 1 3 0 42 289.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.39 5.12 -7.86 1 3 0 42 289.4 3 ↓

Parameters Provided:

ring.id = 126253
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 = 126253 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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