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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thian-3-amine (3S)-1,1-dioxo-3-(4,5,6,7-tetrah…

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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) 1.08 1.77 -11.27 2 4 0 73 286.422 1 ↓
Lo Low (pH 4.5-6) 1.08 2.03 -42.13 3 4 1 75 287.43 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thian-3-amine (3R)-1,1-dioxo-3-(4,5,6,7-tetrah…

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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) 1.08 1.78 -11.39 2 4 0 73 286.422 1 ↓
Lo Low (pH 4.5-6) 1.08 2.04 -42.09 3 4 1 75 287.43 1 ↓

Analogs

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Popular Name: (3R)-N-methyl-1,1-dioxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thian-3-amine (3R)-N-methyl-1,1-dioxo-3-(4,5,6…

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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) 1.46 2.84 -11.25 1 4 0 59 300.449 2 ↓
Mid Mid (pH 6-8) 1.46 3.44 -41.55 2 4 1 64 301.457 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-1,1-dioxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thian-3-amine (3S)-N-methyl-1,1-dioxo-3-(4,5,6…

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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) 1.46 2.92 -11.24 1 4 0 59 300.449 2 ↓
Mid Mid (pH 6-8) 1.46 3.45 -41.47 2 4 1 64 301.457 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-1,1-dioxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thian-3-amine (3R)-N-ethyl-1,1-dioxo-3-(4,5,6,…

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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 3.69 -10.91 1 4 0 59 314.476 3 ↓
Mid Mid (pH 6-8) 1.83 4.26 -38.94 2 4 1 64 315.484 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-1,1-dioxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thian-3-amine (3S)-N-ethyl-1,1-dioxo-3-(4,5,6,…

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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 3.77 -10.95 1 4 0 59 314.476 3 ↓
Mid Mid (pH 6-8) 1.83 4.26 -39.09 2 4 1 64 315.484 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thian-3-amine (3R)-1,1-dioxo-N-propyl-3-(4,5,6…

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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) 2.33 4.46 -10.75 1 4 0 59 328.503 4 ↓
Mid Mid (pH 6-8) 2.33 5.02 -38.99 2 4 1 64 329.511 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thian-3-amine (3S)-1,1-dioxo-N-propyl-3-(4,5,6…

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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) 2.33 4.52 -10.87 1 4 0 59 328.503 4 ↓
Mid Mid (pH 6-8) 2.33 5.01 -39.14 2 4 1 64 329.511 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-isopropyl-1,1-dioxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thian-3-amine (3R)-N-isopropyl-1,1-dioxo-3-(4,…

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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) 2.13 3.9 -10.71 1 4 0 59 328.503 3 ↓
Mid Mid (pH 6-8) 2.13 5.02 -34.69 2 4 1 64 329.511 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-isopropyl-1,1-dioxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thian-3-amine (3S)-N-isopropyl-1,1-dioxo-3-(4,…

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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) 2.13 4.33 -10.86 1 4 0 59 328.503 3 ↓
Mid Mid (pH 6-8) 2.13 4.64 -37.43 2 4 1 64 329.511 3 ↓

Parameters Provided:

ring.id = 288341
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 = 288341 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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