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

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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 7.25 -86.66 4 4 2 48 310.511 2 ↓
Hi High (pH 8-9.5) 0.95 4.55 -6.46 2 4 0 45 308.495 2 ↓
Mid Mid (pH 6-8) 0.95 6.93 -37.68 3 4 1 47 309.503 2 ↓

Analogs

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

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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 -87.64 4 4 2 48 310.511 2 ↓
Hi High (pH 8-9.5) 0.95 4.55 -6.55 2 4 0 45 308.495 2 ↓
Mid Mid (pH 6-8) 0.95 6.93 -36.99 3 4 1 47 309.503 2 ↓

Analogs

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Popular Name: (7R)-N2-methyl-N2-[(3S)-1-methyl-3-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-methyl-N2-[(3S)-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) 0.06 6.36 -87.28 4 4 2 48 282.457 2 ↓
Hi High (pH 8-9.5) 0.06 3.67 -6.9 2 4 0 45 280.441 2 ↓
Mid Mid (pH 6-8) 0.06 6.04 -37.82 3 4 1 47 281.449 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-methyl-N2-[(3R)-1-methyl-3-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-methyl-N2-[(3R)-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) 0.06 6.37 -85.93 4 4 2 48 282.457 2 ↓
Hi High (pH 8-9.5) 0.06 3.67 -6.86 2 4 0 45 280.441 2 ↓
Mid Mid (pH 6-8) 0.06 6.04 -37.83 3 4 1 47 281.449 2 ↓

Analogs

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Popular Name: (7R)-N2,N7-dimethyl-N2-[(3R)-1-methyl-3-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2,N7-dimethyl-N2-[(3R)-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) 2.32 8.12 -81.06 3 4 2 37 296.484 3 ↓
Hi High (pH 8-9.5) 2.32 4.34 -5.62 1 4 0 31 294.468 3 ↓
Hi High (pH 8-9.5) 2.32 6.71 -37.35 2 4 1 33 295.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2,N7-dimethyl-N2-[(3R)-1-methyl-3-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2,N7-dimethyl-N2-[(3R)-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) 2.32 8.12 -82.11 3 4 2 37 296.484 3 ↓
Hi High (pH 8-9.5) 2.32 6.71 -37.61 2 4 1 33 295.476 3 ↓
Hi High (pH 8-9.5) 2.32 4.33 -7.14 1 4 0 31 294.468 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 8.97 -79.99 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.69 7.63 -37.2 2 4 1 33 309.503 4 ↓
Hi High (pH 8-9.5) 2.69 5.26 -5.52 1 4 0 31 308.495 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N7-ethyl-N2-methyl-N2-[(3R)-1-methyl-3-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diam (7S)-N7-ethyl-N2-methyl-N2-[(3R)…

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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 8.97 -80.97 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.69 5.25 -6.88 1 4 0 31 308.495 4 ↓
Hi High (pH 8-9.5) 2.69 7.63 -37.37 2 4 1 33 309.503 4 ↓

Analogs

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

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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 -41.92 2 4 1 41 310.487 2 ↓
Hi High (pH 8-9.5) 2.65 4.24 -5.71 1 4 0 40 309.479 2 ↓
Mid Mid (pH 6-8) 2.65 7.02 -85.81 3 4 2 42 311.495 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-5,5-dimethyl-2-[methyl-[(3S…

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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 -41.91 2 4 1 41 310.487 2 ↓
Hi High (pH 8-9.5) 2.65 4.24 -5.73 1 4 0 40 309.479 2 ↓
Mid Mid (pH 6-8) 2.65 7.03 -86.07 3 4 2 42 311.495 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5.78 -39.06 2 4 1 41 282.433 2 ↓
Hi High (pH 8-9.5) 1.76 3.41 -7.29 1 4 0 40 281.425 2 ↓
Lo Low (pH 4.5-6) 1.76 6.11 -85.52 3 4 2 42 283.441 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5.78 -39.2 2 4 1 41 282.433 2 ↓
Hi High (pH 8-9.5) 1.76 3.41 -7.23 1 4 0 40 281.425 2 ↓
Lo Low (pH 4.5-6) 1.76 6.11 -84.77 3 4 2 42 283.441 2 ↓

Parameters Provided:

ring.id = 158343
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 = 158343 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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