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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-(3-pyridylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2,5,5-trimethyl-N2-(3-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) 0.69 6.24 -46.6 3 4 1 57 303.455 3 ↓
Hi High (pH 8-9.5) 0.69 5.91 -7.46 2 4 0 55 302.447 3 ↓
Mid Mid (pH 6-8) 0.69 6.56 -102.46 4 4 2 58 304.463 3 ↓

Analogs

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Popular Name: (7S)-N2,5,5-trimethyl-N2-(3-pyridylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2,5,5-trimethyl-N2-(3-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) 0.69 6.24 -46.39 3 4 1 57 303.455 3 ↓
Hi High (pH 8-9.5) 0.69 5.92 -6.41 2 4 0 55 302.447 3 ↓
Mid Mid (pH 6-8) 0.69 6.56 -102.53 4 4 2 58 304.463 3 ↓

Analogs

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Popular Name: (7R)-N2-methyl-N2-(3-pyridylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-methyl-N2-(3-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) -0.20 5.37 -46.79 3 4 1 57 275.401 3 ↓
Hi High (pH 8-9.5) -0.20 5.04 -10.34 2 4 0 55 274.393 3 ↓
Mid Mid (pH 6-8) -0.20 5.67 -96.81 4 4 2 58 276.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-methyl-N2-(3-pyridylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N2-(3-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) -0.20 5.37 -47.56 3 4 1 57 275.401 3 ↓
Hi High (pH 8-9.5) -0.20 5.05 -9.12 2 4 0 55 274.393 3 ↓
Mid Mid (pH 6-8) -0.20 5.68 -95.57 4 4 2 58 276.409 3 ↓

Analogs

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Popular Name: (7R)-N2,N7-dimethyl-N2-(3-pyridylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2,N7-dimethyl-N2-(3-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) 2.06 7.12 -40.72 2 4 1 46 289.428 4 ↓
Hi High (pH 8-9.5) 2.06 5.71 -6.84 1 4 0 41 288.42 4 ↓
Mid Mid (pH 6-8) 2.06 7.42 -94.4 3 4 2 47 290.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2,N7-dimethyl-N2-(3-pyridylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2,N7-dimethyl-N2-(3-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) 2.06 7.12 -40.47 2 4 1 46 289.428 4 ↓
Hi High (pH 8-9.5) 2.06 5.69 -8.14 1 4 0 41 288.42 4 ↓
Mid Mid (pH 6-8) 2.06 7.42 -94.42 3 4 2 47 290.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N7-ethyl-N2-methyl-N2-(3-pyridylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N7-ethyl-N2-methyl-N2-(3-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) 2.43 7.97 -39.33 2 4 1 46 303.455 5 ↓
Hi High (pH 8-9.5) 2.43 6.63 -6.66 1 4 0 41 302.447 5 ↓
Mid Mid (pH 6-8) 2.43 8.27 -93.79 3 4 2 47 304.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N7-ethyl-N2-methyl-N2-(3-pyridylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N7-ethyl-N2-methyl-N2-(3-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) 2.43 7.96 -39.1 2 4 1 46 303.455 5 ↓
Hi High (pH 8-9.5) 2.43 6.62 -8.04 1 4 0 41 302.447 5 ↓
Mid Mid (pH 6-8) 2.43 8.27 -93.84 3 4 2 47 304.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[methyl(3-pyridylmethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-5,5-dimethyl-2-[methyl(3-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) 2.39 5.6 -9.05 1 4 0 49 303.431 3 ↓
Mid Mid (pH 6-8) 2.39 6 -29.88 2 4 1 50 304.439 3 ↓
Lo Low (pH 4.5-6) 2.39 6.47 -84.65 3 4 2 52 305.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5,5-dimethyl-2-[methyl(3-pyridylmethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-5,5-dimethyl-2-[methyl(3-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) 2.39 5.6 -9.06 1 4 0 49 303.431 3 ↓
Mid Mid (pH 6-8) 2.39 6 -29.73 2 4 1 50 304.439 3 ↓
Lo Low (pH 4.5-6) 2.39 6.47 -85.27 3 4 2 52 305.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[methyl(3-pyridylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[methyl(3-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) 1.50 4.79 -10.92 1 4 0 49 275.377 3 ↓
Lo Low (pH 4.5-6) 1.50 5.09 -29.43 2 4 1 50 276.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[methyl(3-pyridylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-[methyl(3-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) 1.50 4.79 -10.51 1 4 0 49 275.377 3 ↓
Lo Low (pH 4.5-6) 1.50 5.09 -29.82 2 4 1 50 276.385 3 ↓

Parameters Provided:

ring.id = 158307
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 = 158307 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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