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

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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) 0.31 5.83 -49.26 3 5 1 62 306.459 3 ↓
Hi High (pH 8-9.5) 0.31 5.5 -11.57 2 5 0 60 305.451 3 ↓
Mid Mid (pH 6-8) 0.31 6.22 -97.52 4 5 2 63 307.467 3 ↓

Analogs

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

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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) 0.31 5.83 -48.29 3 5 1 62 306.459 3 ↓
Hi High (pH 8-9.5) 0.31 5.51 -10.42 2 5 0 60 305.451 3 ↓
Mid Mid (pH 6-8) 0.31 6.22 -98.61 4 5 2 63 307.467 3 ↓

Analogs

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Popular Name: (7R)-N2-methyl-N2-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-methyl-N2-[(1-methylpyra…

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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) -0.58 4.95 -46.69 3 5 1 62 278.405 3 ↓
Hi High (pH 8-9.5) -0.58 4.62 -9.17 2 5 0 60 277.397 3 ↓
Mid Mid (pH 6-8) -0.58 5.34 -101.26 4 5 2 63 279.413 3 ↓

Analogs

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Popular Name: (7S)-N2-methyl-N2-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N2-[(1-methylpyra…

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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) -0.58 4.95 -46.87 3 5 1 62 278.405 3 ↓
Hi High (pH 8-9.5) -0.58 4.63 -8.05 2 5 0 60 277.397 3 ↓
Mid Mid (pH 6-8) -0.58 5.34 -101.64 4 5 2 63 279.413 3 ↓

Analogs

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Popular Name: (7R)-N2,N7-dimethyl-N2-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7R)-N2,N7-dimethyl-N2-[(1-methy…

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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) 1.67 6.71 -43.09 2 5 1 51 292.432 4 ↓
Hi High (pH 8-9.5) 1.67 5.3 -10.92 1 5 0 46 291.424 4 ↓
Mid Mid (pH 6-8) 1.67 7.09 -90.1 3 5 2 52 293.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2,N7-dimethyl-N2-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7S)-N2,N7-dimethyl-N2-[(1-methy…

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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) 1.67 6.7 -42.44 2 5 1 51 292.432 4 ↓
Hi High (pH 8-9.5) 1.67 5.28 -12.32 1 5 0 46 291.424 4 ↓
Mid Mid (pH 6-8) 1.67 7.09 -90.97 3 5 2 52 293.44 4 ↓

Analogs

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Popular Name: (7R)-N7-ethyl-N2-methyl-N2-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-d (7R)-N7-ethyl-N2-methyl-N2-[(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) 2.05 7.56 -41.56 2 5 1 51 306.459 5 ↓
Hi High (pH 8-9.5) 2.05 6.22 -10.68 1 5 0 46 305.451 5 ↓
Mid Mid (pH 6-8) 2.05 7.94 -89.46 3 5 2 52 307.467 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N7-ethyl-N2-methyl-N2-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-d (7S)-N7-ethyl-N2-methyl-N2-[(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) 2.05 7.55 -40.94 2 5 1 51 306.459 5 ↓
Hi High (pH 8-9.5) 2.05 6.2 -12.14 1 5 0 46 305.451 5 ↓
Mid Mid (pH 6-8) 2.05 7.94 -90.3 3 5 2 52 307.467 5 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-6,7-dihydro-4H-1,3-benzothiazol-7-o (7R)-5,5-dimethyl-2-[methyl-[(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) 2.01 5.27 -12.18 1 5 0 54 306.435 3 ↓
Mid Mid (pH 6-8) 2.01 5.66 -30.48 2 5 1 55 307.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5,5-dimethyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-6,7-dihydro-4H-1,3-benzothiazol-7-o (7S)-5,5-dimethyl-2-[methyl-[(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) 2.01 5.27 -11.91 1 5 0 54 306.435 3 ↓
Mid Mid (pH 6-8) 2.01 5.66 -30.05 2 5 1 55 307.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.12 4.37 -9.66 1 5 0 54 278.381 3 ↓
Lo Low (pH 4.5-6) 1.12 4.77 -30.62 2 5 1 55 279.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.12 4.37 -9.56 1 5 0 54 278.381 3 ↓
Lo Low (pH 4.5-6) 1.12 4.77 -30.7 2 5 1 55 279.389 3 ↓

Parameters Provided:

ring.id = 158399
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 = 158399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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