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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-(4-pyridylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2,5,5-trimethyl-N2-(4-pyri…

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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) 0.64 6.26 -47.58 3 4 1 57 303.455 3 ↓
Hi High (pH 8-9.5) 0.64 5.93 -8.32 2 4 0 55 302.447 3 ↓
Mid Mid (pH 6-8) 0.64 6.57 -102.06 4 4 2 58 304.463 3 ↓

Analogs

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

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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) 0.64 6.26 -47.03 3 4 1 57 303.455 3 ↓
Hi High (pH 8-9.5) 0.64 5.93 -7.34 2 4 0 55 302.447 3 ↓
Mid Mid (pH 6-8) 0.64 6.57 -102.58 4 4 2 58 304.463 3 ↓

Analogs

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

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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) -0.25 5.38 -46.61 3 4 1 57 275.401 3 ↓
Mid Mid (pH 6-8) -0.25 5.69 -100.78 4 4 2 58 276.409 3 ↓
Mid Mid (pH 6-8) -0.25 5.05 -8.99 2 4 0 55 274.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.25 5.38 -47.08 3 4 1 57 275.401 3 ↓
Mid Mid (pH 6-8) -0.25 5.06 -7.83 2 4 0 55 274.393 3 ↓
Mid Mid (pH 6-8) -0.25 5.69 -100.33 4 4 2 58 276.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.13 6.32 -46.05 3 4 1 57 289.428 4 ↓
Mid Mid (pH 6-8) 0.13 6 -8.64 2 4 0 55 288.42 4 ↓
Mid Mid (pH 6-8) 0.13 6.64 -100.49 4 4 2 58 290.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.13 6.32 -46.43 3 4 1 57 289.428 4 ↓
Mid Mid (pH 6-8) 0.13 6 -7.45 2 4 0 55 288.42 4 ↓
Mid Mid (pH 6-8) 0.13 6.64 -100.2 4 4 2 58 290.436 4 ↓

Analogs

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

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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) 2.01 7.13 -41.58 2 4 1 46 289.428 4 ↓
Hi High (pH 8-9.5) 2.01 5.73 -7.65 1 4 0 41 288.42 4 ↓
Mid Mid (pH 6-8) 2.01 7.43 -94.21 3 4 2 47 290.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.01 7.13 -41.07 2 4 1 46 289.428 4 ↓
Hi High (pH 8-9.5) 2.01 5.71 -9.05 1 4 0 41 288.42 4 ↓
Mid Mid (pH 6-8) 2.01 7.43 -94.57 3 4 2 47 290.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.38 7.98 -40.16 2 4 1 46 303.455 5 ↓
Hi High (pH 8-9.5) 2.38 6.65 -7.57 1 4 0 41 302.447 5 ↓
Mid Mid (pH 6-8) 2.38 8.29 -93.52 3 4 2 47 304.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.38 7.97 -39.69 2 4 1 46 303.455 5 ↓
Hi High (pH 8-9.5) 2.38 6.63 -8.89 1 4 0 41 302.447 5 ↓
Mid Mid (pH 6-8) 2.38 8.29 -94 3 4 2 47 304.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.38 8.07 -40.53 2 4 1 46 303.455 5 ↓
Hi High (pH 8-9.5) 2.38 6.65 -8.83 1 4 0 41 302.447 5 ↓
Mid Mid (pH 6-8) 2.38 8.38 -94.32 3 4 2 47 304.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.38 8.07 -40.99 2 4 1 46 303.455 5 ↓
Hi High (pH 8-9.5) 2.38 6.65 -7.4 1 4 0 41 302.447 5 ↓
Mid Mid (pH 6-8) 2.38 8.38 -93.9 3 4 2 47 304.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.34 5.62 -9.66 1 4 0 49 303.431 3 ↓
Mid Mid (pH 6-8) 2.34 6.02 -30.92 2 4 1 50 304.439 3 ↓
Lo Low (pH 4.5-6) 2.34 6.48 -83.01 3 4 2 52 305.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.34 5.62 -9.51 1 4 0 49 303.431 3 ↓
Mid Mid (pH 6-8) 2.34 6.02 -30.67 2 4 1 50 304.439 3 ↓
Lo Low (pH 4.5-6) 2.34 6.48 -83.95 3 4 2 52 305.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.45 4.79 -9.45 1 4 0 49 275.377 3 ↓
Lo Low (pH 4.5-6) 1.45 5.57 -83.19 3 4 2 52 277.393 3 ↓
Lo Low (pH 4.5-6) 1.45 5.11 -30.78 2 4 1 50 276.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.45 4.79 -9.28 1 4 0 49 275.377 3 ↓
Lo Low (pH 4.5-6) 1.45 5.25 -37.5 2 4 1 50 276.385 3 ↓
Lo Low (pH 4.5-6) 1.45 5.57 -82.37 3 4 2 52 277.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.83 5.74 -9.13 1 4 0 49 289.404 4 ↓
Lo Low (pH 4.5-6) 1.83 6.51 -83.14 3 4 2 52 291.42 4 ↓
Lo Low (pH 4.5-6) 1.83 6.05 -29.91 2 4 1 50 290.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.83 5.74 -8.99 1 4 0 49 289.404 4 ↓
Lo Low (pH 4.5-6) 1.83 6.2 -37.57 2 4 1 50 290.412 4 ↓
Lo Low (pH 4.5-6) 1.83 6.51 -82.2 3 4 2 52 291.42 4 ↓

Parameters Provided:

ring.id = 158315
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 158315 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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