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Analogs

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Popular Name: 7-chloro-N-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[2-(4-fluorophenyl)et…

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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) 4.95 9.4 -9.15 1 2 0 25 306.793 4 ↓

Analogs

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Popular Name: 5-bromo-N-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[2-(4-fluorophenyl)eth…

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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) 5.11 9.5 -8.57 1 2 0 25 351.244 4 ↓

Analogs

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Popular Name: 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine 5-fluoro-N-[2-(4-fluorophenyl)et…

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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) 4.46 8.96 -9.26 1 2 0 25 290.338 4 ↓

Analogs

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine N-[2-(4-fluorophenyl)ethyl]-5-me…

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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) 4.74 9.48 -9.34 1 2 0 25 286.375 4 ↓
Lo Low (pH 4.5-6) 4.74 9.9 -30.57 2 2 1 26 287.383 4 ↓

Analogs

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Popular Name: 7-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[2-(4-methoxyphenyl)e…

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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) 4.84 8.63 -9.51 1 3 0 34 318.829 5 ↓

Analogs

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Popular Name: 5-bromo-N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[2-(4-methoxyphenyl)et…

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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) 5.00 8.73 -8.89 1 3 0 34 363.28 5 ↓

Analogs

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Popular Name: 5-fluoro-N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine 5-fluoro-N-[2-(4-methoxyphenyl)e…

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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) 4.35 8.19 -9.54 1 3 0 34 302.374 5 ↓

Analogs

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine N-[2-(4-methoxyphenyl)ethyl]-5-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) 4.64 8.71 -9.55 1 3 0 34 298.411 5 ↓
Lo Low (pH 4.5-6) 4.64 9.14 -29.29 2 3 1 35 299.419 5 ↓

Analogs

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Popular Name: 7-chloro-N-[2-(2-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[2-(2-fluorophenyl)et…

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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) 4.90 9.38 -8.82 1 2 0 25 306.793 4 ↓

Analogs

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Popular Name: 5-bromo-N-[2-(2-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[2-(2-fluorophenyl)eth…

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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) 5.06 9.48 -8.16 1 2 0 25 351.244 4 ↓

Analogs

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Popular Name: 5-fluoro-N-[2-(2-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine 5-fluoro-N-[2-(2-fluorophenyl)et…

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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) 4.41 8.93 -8.73 1 2 0 25 290.338 4 ↓

Analogs

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine N-[2-(2-fluorophenyl)ethyl]-5-me…

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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) 4.70 9.46 -8.94 1 2 0 25 286.375 4 ↓
Lo Low (pH 4.5-6) 4.70 9.88 -26.23 2 2 1 26 287.383 4 ↓

Analogs

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Popular Name: 7-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[2-(2,4-dichloropheny…

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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) 6.07 10.26 -8.3 1 2 0 25 357.693 4 ↓

Analogs

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Popular Name: N-[2-(2,4-dichlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine N-[2-(2,4-dichlorophenyl)ethyl]-…

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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) 5.58 9.74 -7.9 1 2 0 25 341.238 4 ↓

Analogs

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Popular Name: 7-chloro-N-phenethyl-1,3-benzothiazol-2-amine 7-chloro-N-phenethyl-1,3-benzoth…

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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) 4.79 9.33 -7.7 1 2 0 25 288.803 4 ↓

Analogs

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Popular Name: 5-bromo-N-phenethyl-1,3-benzothiazol-2-amine 5-bromo-N-phenethyl-1,3-benzothi…

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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) 4.94 9.43 -7.07 1 2 0 25 333.254 4 ↓

Analogs

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Popular Name: 5-fluoro-N-phenethyl-1,3-benzothiazol-2-amine 5-fluoro-N-phenethyl-1,3-benzoth…

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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) 4.30 8.89 -7.68 1 2 0 25 272.348 4 ↓

Analogs

36779902
36779902

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Popular Name: (1R)-2-(1,3-benzothiazol-2-ylamino)-1-(3-fluorophenyl)ethanol (1R)-2-(1,3-benzothiazol-2-ylami…

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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) 3.31 5.72 -10.2 2 3 0 45 288.347 4 ↓

Analogs

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Popular Name: (1S)-2-(1,3-benzothiazol-2-ylamino)-1-(3-fluorophenyl)ethanol (1S)-2-(1,3-benzothiazol-2-ylami…

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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) 3.31 5.63 -10.29 2 3 0 45 288.347 4 ↓

Analogs

42109988
42109988
336416
336416

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Popular Name: (1S)-2-(1,3-benzothiazol-2-ylamino)-1-(p-tolyl)ethanol (1S)-2-(1,3-benzothiazol-2-ylami…

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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) 3.61 6.32 -8.38 2 3 0 45 284.384 4 ↓

Analogs

42109985
42109985
30860053
30860053
30860057
30860057

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Popular Name: (1R)-2-(1,3-benzothiazol-2-ylamino)-1-(p-tolyl)ethanol (1R)-2-(1,3-benzothiazol-2-ylami…

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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) 3.61 6.4 -8.32 2 3 0 45 284.384 4 ↓

Parameters Provided:

ring.id = 190996
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 = 190996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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