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Popular Name: 2-[(2R)-2-ethylpyrrolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(2R)-2-ethylpyrrolidin-1-yl]-…

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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) 3.83 8.46 -10.29 0 3 0 33 278.421 2 ↓

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Popular Name: 2-[(2S)-2-ethylpyrrolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(2S)-2-ethylpyrrolidin-1-yl]-…

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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) 3.83 8.46 -10.27 0 3 0 33 278.421 2 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethylpyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2R)-2-ethylpyrrolidin-1-yl]-…

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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) 2.94 7.54 -10.98 0 3 0 33 250.367 2 ↓

Analogs

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Popular Name: 2-[(2S)-2-ethylpyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2S)-2-ethylpyrrolidin-1-yl]-…

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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) 2.94 7.55 -11.01 0 3 0 33 250.367 2 ↓

Analogs

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Popular Name: 5,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-[(2R)-2-methylpyr…

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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) 3.30 7.79 -10.29 0 3 0 33 264.394 1 ↓

Analogs

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Popular Name: 5,5-dimethyl-2-[(2S)-2-methylpyrrolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-[(2S)-2-methylpyr…

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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) 3.30 7.77 -10.37 0 3 0 33 264.394 1 ↓

Analogs

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Popular Name: 2-[(2R)-2-methylpyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2R)-2-methylpyrrolidin-1-yl]…

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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) 2.41 6.88 -11.06 0 3 0 33 236.34 1 ↓

Analogs

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Popular Name: 2-[(2S)-2-methylpyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2S)-2-methylpyrrolidin-1-yl]…

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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) 2.41 6.85 -11.08 0 3 0 33 236.34 1 ↓

Analogs

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Popular Name: 2-pyrrolidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-pyrrolidin-1-yl-5,6-dihydro-4H…

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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) 2.08 6.32 -10.98 0 3 0 33 222.313 1 ↓

Analogs

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Popular Name: 5,5-dimethyl-2-[(3R)-3-methylpyrrolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-[(3R)-3-methylpyr…

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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) 3.44 7.85 -9.67 0 3 0 33 264.394 1 ↓

Analogs

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Popular Name: 5,5-dimethyl-2-[(3S)-3-methylpyrrolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-[(3S)-3-methylpyr…

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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) 3.44 7.86 -9.77 0 3 0 33 264.394 1 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylpyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3R)-3-methylpyrrolidin-1-yl]…

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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) 2.56 6.93 -10.42 0 3 0 33 236.34 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylpyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3S)-3-methylpyrrolidin-1-yl]…

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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) 2.56 6.94 -10.5 0 3 0 33 236.34 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(3S)-3-(dimethylamino)pyrroli…

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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) 2.71 8.35 -48.9 1 4 1 38 294.444 2 ↓
Mid Mid (pH 6-8) 2.71 5.94 -9.33 0 4 0 36 293.436 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(3R)-3-(dimethylamino)pyrroli…

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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) 2.71 8.36 -48.73 1 4 1 38 294.444 2 ↓
Mid Mid (pH 6-8) 2.71 5.96 -9.65 0 4 0 36 293.436 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3R)-3-(dimethylamino)pyrroli…

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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 7.42 -49.61 1 4 1 38 266.39 2 ↓
Mid Mid (pH 6-8) 1.83 5.01 -9.99 0 4 0 36 265.382 2 ↓

Analogs

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Popular Name: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3S)-3-(dimethylamino)pyrroli…

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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 7.44 -49.42 1 4 1 38 266.39 2 ↓
Mid Mid (pH 6-8) 1.83 5.05 -10.39 0 4 0 36 265.382 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3R)-3-(diethylamino)pyrrolid…

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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) 2.58 8.47 -47.25 1 4 1 38 294.444 4 ↓
Mid Mid (pH 6-8) 2.58 6.35 -9.83 0 4 0 36 293.436 4 ↓

Analogs

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Popular Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3S)-3-(diethylamino)pyrrolid…

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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) 2.58 8.48 -46.95 1 4 1 38 294.444 4 ↓
Mid Mid (pH 6-8) 2.58 6.4 -9.9 0 4 0 36 293.436 4 ↓

Parameters Provided:

ring.id = 157508
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 = 157508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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