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Analogs

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Popular Name: N-[[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-[(3,5-dimethyl-1,2,4-triaz…

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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) 0.81 6.57 -45.9 2 5 1 60 280.421 6 ↓
Hi High (pH 8-9.5) 0.81 5.22 -9 1 5 0 56 279.413 6 ↓

Analogs

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Popular Name: N-[[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-[(3,5-dimethyl-1,2,4-triaz…

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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) 0.88 6.07 -41.11 2 5 1 60 280.421 5 ↓
Hi High (pH 8-9.5) 0.88 4.85 -8.88 1 5 0 56 279.413 5 ↓

Analogs

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Popular Name: [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]thiazol-2-yl]methanamine [4-[(3,5-dimethyl-1,2,4-triazol-…

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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) -0.68 2.41 -49.36 3 5 1 71 224.313 3 ↓
Mid Mid (pH 6-8) -0.68 2 -11.05 2 5 0 70 223.305 3 ↓

Analogs

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Popular Name: 1-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]thiazol-2-yl]-N-methyl-methanamine 1-[4-[(3,5-dimethyl-1,2,4-triazo…

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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 4.28 -43.95 2 5 1 60 238.34 4 ↓
Hi High (pH 8-9.5) -0.31 2.84 -9.39 1 5 0 56 237.332 4 ↓

Analogs

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Popular Name: N-[[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[(3,5-dimethyl-1,2,4-triaz…

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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) 0.07 5.12 -44.22 2 5 1 60 252.367 5 ↓
Hi High (pH 8-9.5) 0.07 3.78 -14.75 1 5 0 56 251.359 5 ↓

Analogs

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Popular Name: N-[[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[(3,5-dimethyl-1,2,4-triaz…

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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) 0.36 5.66 -43.09 2 5 1 60 266.394 5 ↓
Hi High (pH 8-9.5) 0.36 4.44 -9.01 1 5 0 56 265.386 5 ↓

Analogs

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Popular Name: N-[[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[(3,5-dimethyl-1,2,4-triaz…

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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) 0.57 5.88 -44.94 2 5 1 60 266.394 6 ↓
Hi High (pH 8-9.5) 0.57 4.54 -14.55 1 5 0 56 265.386 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)thiazol-2-yl]methyl]propan-1-amine 2-methyl-N-[[4-(1,2,4-triazol-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) 0.64 6.89 -43.2 2 5 1 60 252.367 6 ↓
Hi High (pH 8-9.5) 0.64 5.68 -10.66 1 5 0 56 251.359 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)thiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[4-(1,2,4-triazol-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) 0.70 6.4 -38.51 2 5 1 60 252.367 5 ↓
Hi High (pH 8-9.5) 0.70 5.16 -10.64 1 5 0 56 251.359 5 ↓

Analogs

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Popular Name: [4-(1,2,4-triazol-1-ylmethyl)thiazol-2-yl]methanamine [4-(1,2,4-triazol-1-ylmethyl)thi…

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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) -0.86 2.72 -47.41 3 5 1 71 196.259 3 ↓
Mid Mid (pH 6-8) -0.86 2.31 -11.59 2 5 0 70 195.251 3 ↓

Analogs

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Popular Name: N-methyl-1-[4-(1,2,4-triazol-1-ylmethyl)thiazol-2-yl]methanamine N-methyl-1-[4-(1,2,4-triazol-1-y…

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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) -0.48 4.59 -42.19 2 5 1 60 210.286 4 ↓
Hi High (pH 8-9.5) -0.48 3.15 -11.16 1 5 0 56 209.278 4 ↓

Analogs

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Popular Name: N-[[4-(1,2,4-triazol-1-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(1,2,4-triazol-1-ylmethyl)…

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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) -0.11 5.44 -42.45 2 5 1 60 224.313 5 ↓
Hi High (pH 8-9.5) -0.11 4.08 -11 1 5 0 56 223.305 5 ↓

Analogs

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Popular Name: N-[[4-(1,2,4-triazol-1-ylmethyl)thiazol-2-yl]methyl]propan-2-amine N-[[4-(1,2,4-triazol-1-ylmethyl)…

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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) 0.19 5.98 -40.81 2 5 1 60 238.34 5 ↓
Hi High (pH 8-9.5) 0.19 4.75 -10.91 1 5 0 56 237.332 5 ↓

Analogs

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Popular Name: N-[[4-(1,2,4-triazol-1-ylmethyl)thiazol-2-yl]methyl]propan-1-amine N-[[4-(1,2,4-triazol-1-ylmethyl)…

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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) 0.39 6.2 -43.22 2 5 1 60 238.34 6 ↓
Hi High (pH 8-9.5) 0.39 4.84 -10.83 1 5 0 56 237.332 6 ↓

Analogs

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Popular Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]thiazole-2-carboxylic 4-[(3-nitro-1,2,4-triazol-1-yl)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) -0.19 7.5 -57.7 0 9 -1 130 254.207 4 ↓

Analogs

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Popular Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]thiazol-2-amine 4-[(3-nitro-1,2,4-triazol-1-yl)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) 0.11 5.96 -15.77 2 8 0 115 226.221 3 ↓

Analogs

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Popular Name: ethyl 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) 0.02 5.58 -18.49 0 7 0 94 263.282 5 ↓

Parameters Provided:

ring.id = 260100
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 = 260100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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