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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)-N2,5,5-trimethyl-N2-(1-methyl-4-piperidyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2,5,5-trimethyl-N2-(1-meth…

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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) 0.95 7.26 -87.56 4 4 2 48 310.511 2 ↓
Hi High (pH 8-9.5) 0.95 6.94 -39.71 3 4 1 47 309.503 2 ↓
Mid Mid (pH 6-8) 0.95 7.59 -167.28 5 4 3 49 311.519 2 ↓

Analogs

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Popular Name: (7S)-N2,5,5-trimethyl-N2-(1-methyl-4-piperidyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2,5,5-trimethyl-N2-(1-meth…

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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) 0.95 7.26 -87.59 4 4 2 48 310.511 2 ↓
Hi High (pH 8-9.5) 0.95 6.94 -39.28 3 4 1 47 309.503 2 ↓
Mid Mid (pH 6-8) 0.95 7.59 -167.24 5 4 3 49 311.519 2 ↓

Analogs

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Popular Name: (7R)-N2-methyl-N2-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-methyl-N2-(1-methyl-4-pi…

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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) 0.06 6.37 -87.14 4 4 2 48 282.457 2 ↓
Mid Mid (pH 6-8) 0.06 6.05 -40.26 3 4 1 47 281.449 2 ↓
Lo Low (pH 4.5-6) 0.06 6.7 -164.46 5 4 3 49 283.465 2 ↓

Analogs

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Popular Name: (7S)-N2-methyl-N2-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N2-(1-methyl-4-pi…

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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) 0.06 6.37 -87.04 4 4 2 48 282.457 2 ↓
Mid Mid (pH 6-8) 0.06 6.05 -39.73 3 4 1 47 281.449 2 ↓
Lo Low (pH 4.5-6) 0.06 6.7 -164.46 5 4 3 49 283.465 2 ↓

Analogs

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Popular Name: (7R)-N2-(1-ethyl-4-piperidyl)-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(1-ethyl-4-piperidyl)-N2…

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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) 0.44 7.03 -86.14 4 4 2 48 296.484 3 ↓
Mid Mid (pH 6-8) 0.44 6.71 -38.87 3 4 1 47 295.476 3 ↓
Lo Low (pH 4.5-6) 0.44 7.36 -164.87 5 4 3 49 297.492 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(1-ethyl-4-piperidyl)-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(1-ethyl-4-piperidyl)-N2…

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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) 0.44 7.04 -86.06 4 4 2 48 296.484 3 ↓
Mid Mid (pH 6-8) 0.44 6.71 -38.38 3 4 1 47 295.476 3 ↓
Lo Low (pH 4.5-6) 0.44 7.36 -165 5 4 3 49 297.492 3 ↓

Analogs

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Popular Name: (7R)-N2,N7-dimethyl-N2-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2,N7-dimethyl-N2-(1-methyl…

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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) 2.32 8.14 -81.87 3 4 2 37 296.484 3 ↓
Hi High (pH 8-9.5) 2.32 6.72 -39.58 2 4 1 33 295.476 3 ↓
Mid Mid (pH 6-8) 2.32 8.47 -158.62 4 4 3 38 297.492 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2,N7-dimethyl-N2-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2,N7-dimethyl-N2-(1-methyl…

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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) 2.32 8.13 -81.88 3 4 2 37 296.484 3 ↓
Hi High (pH 8-9.5) 2.32 6.72 -40.1 2 4 1 33 295.476 3 ↓
Mid Mid (pH 6-8) 2.32 8.47 -158.55 4 4 3 38 297.492 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N7-ethyl-N2-methyl-N2-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N7-ethyl-N2-methyl-N2-(1-me…

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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) 2.69 8.98 -80.73 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.69 7.65 -39.37 2 4 1 33 309.503 4 ↓
Mid Mid (pH 6-8) 2.69 9.31 -158.19 4 4 3 38 311.519 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N7-ethyl-N2-methyl-N2-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N7-ethyl-N2-methyl-N2-(1-me…

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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) 2.69 8.98 -80.78 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.69 7.65 -39.87 2 4 1 33 309.503 4 ↓
Mid Mid (pH 6-8) 2.69 9.31 -158.17 4 4 3 38 311.519 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(1-ethyl-4-piperidyl)-N2,N7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(1-ethyl-4-piperidyl)-N2…

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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) 2.69 8.78 -81 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.69 7.36 -38.83 2 4 1 33 309.503 4 ↓
Mid Mid (pH 6-8) 2.69 9.11 -159.03 4 4 3 38 311.519 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(1-ethyl-4-piperidyl)-N2,N7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(1-ethyl-4-piperidyl)-N2…

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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) 2.69 8.78 -80.89 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.69 7.37 -38.2 2 4 1 33 309.503 4 ↓
Mid Mid (pH 6-8) 2.69 9.11 -159.07 4 4 3 38 311.519 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[methyl-(1-methyl-4-piperidyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-5,5-dimethyl-2-[methyl-(1-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) 2.65 6.62 -43.72 2 4 1 41 310.487 2 ↓
Mid Mid (pH 6-8) 2.65 7.03 -83.74 3 4 2 42 311.495 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5,5-dimethyl-2-[methyl-(1-methyl-4-piperidyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-5,5-dimethyl-2-[methyl-(1-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) 2.65 6.63 -43.7 2 4 1 41 310.487 2 ↓
Mid Mid (pH 6-8) 2.65 7.03 -83.81 3 4 2 42 311.495 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[methyl-(1-methyl-4-piperidyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[methyl-(1-methyl-4-piper…

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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) 1.76 5.79 -41.38 2 4 1 41 282.433 2 ↓
Lo Low (pH 4.5-6) 1.76 6.12 -83.24 3 4 2 42 283.441 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[methyl-(1-methyl-4-piperidyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-[methyl-(1-methyl-4-piper…

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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) 1.76 5.79 -41.4 2 4 1 41 282.433 2 ↓
Lo Low (pH 4.5-6) 1.76 6.12 -83.17 3 4 2 42 283.441 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(1-ethyl-4-piperidyl)-methyl-amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[(1-ethyl-4-piperidyl)-me…

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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) 2.14 6.45 -40.07 2 4 1 41 296.46 3 ↓
Lo Low (pH 4.5-6) 2.14 6.78 -82.97 3 4 2 42 297.468 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[(1-ethyl-4-piperidyl)-methyl-amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-[(1-ethyl-4-piperidyl)-me…

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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) 2.14 6.45 -40.11 2 4 1 41 296.46 3 ↓
Lo Low (pH 4.5-6) 2.14 6.78 -82.94 3 4 2 42 297.468 3 ↓

Parameters Provided:

ring.id = 157632
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 = 157632 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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