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Analogs

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Popular Name: (1R)-1-[4-methyl-2-(2-naphthyl)thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-(2-naphthyl)t…

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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) 4.00 6.47 -7.21 1 2 0 33 269.369 2 ↓

Analogs

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Popular Name: (1S)-1-[4-methyl-2-(2-naphthyl)thiazol-5-yl]ethanol (1S)-1-[4-methyl-2-(2-naphthyl)t…

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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) 4.00 6.49 -7.21 1 2 0 33 269.369 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(2-naphthyl)thiazol-5-yl]ethanol (1S)-1-[2-(2-naphthyl)thiazol-5-…

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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) 3.77 5.99 -6.78 1 2 0 33 255.342 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(2-naphthyl)thiazol-5-yl]ethanol (1R)-1-[2-(2-naphthyl)thiazol-5-…

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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) 3.77 5.97 -6.78 1 2 0 33 255.342 2 ↓

Analogs

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Popular Name: [4-methyl-2-(2-naphthyl)thiazol-5-yl]methanamine [4-methyl-2-(2-naphthyl)thiazol-…

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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) 3.62 6.42 -49.66 3 2 1 41 255.366 2 ↓
Mid Mid (pH 6-8) 3.62 6.02 -7.13 2 2 0 39 254.358 2 ↓

Analogs

40997109
40997109

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Popular Name: 2-methyl-N-[[2-(2-naphthyl)thiazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[2-(2-naphthyl)thiaz…

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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 9.61 -38.69 2 2 1 29 297.447 4 ↓
Hi High (pH 8-9.5) 4.95 8.35 -5.48 1 2 0 25 296.439 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(2-naphthyl)thiazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[2-(2-naphthyl)thiaz…

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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) 4.89 10.09 -43.36 2 2 1 29 297.447 5 ↓
Hi High (pH 8-9.5) 4.89 8.72 -5.56 1 2 0 25 296.439 5 ↓

Analogs

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Popular Name: 2-(6-methoxy-2-naphthyl)thiazole-4-carboxylic 2-(6-methoxy-2-naphthyl)thiazole…

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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) 3.81 7.4 -57.1 0 4 -1 62 284.316 3 ↓

Analogs

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Popular Name: 2-(2-naphthyl)thiazole-4-carboxylic 2-(2-naphthyl)thiazole-4-carboxylic

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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) 3.78 8.1 -55.94 0 3 -1 53 254.29 2 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(6-methoxy-2-naphthyl)thiazole 4-(chloromethyl)-2-(6-methoxy-2-…

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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) 4.82 8.18 -7.84 0 2 0 22 289.787 3 ↓

Analogs

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Popular Name: 2-(6-methoxy-2-naphthyl)-4-methyl-thiazole-5-carboxylic 2-(6-methoxy-2-naphthyl)-4-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) 4.04 8.16 -48.7 0 4 -1 62 298.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-(2-naphthyl)thiazole-5-carboxylic 4-methyl-2-(2-naphthyl)thiazole-…

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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) 4.00 8.86 -48.43 0 3 -1 53 268.317 2 ↓

Parameters Provided:

ring.id = 126983
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 = 126983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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