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Analogs

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Popular Name: 4-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[2-[2-methoxyethyl(methyl)amin…

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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) 1.16 7.65 -47.85 1 6 0 57 293.396 7 ↓
Mid Mid (pH 6-8) 0.43 7.64 -37.83 2 6 1 60 294.404 7 ↓
Mid Mid (pH 6-8) 1.16 5.28 -48.67 0 6 -1 56 292.388 7 ↓

Analogs

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Popular Name: 4-[(1R)-1,4-dimethylpentyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(1R)-1,4-dimethylpentyl]-5-(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) 3.43 9.58 -48.91 0 4 -1 44 275.401 5 ↓
Mid Mid (pH 6-8) 2.70 9.78 -9.98 1 4 0 47 276.409 5 ↓

Analogs

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Popular Name: 4-[(1S)-1,4-dimethylpentyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(1S)-1,4-dimethylpentyl]-5-(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) 3.43 9.58 -48.65 0 4 -1 44 275.401 5 ↓
Mid Mid (pH 6-8) 2.70 9.78 -10.21 1 4 0 47 276.409 5 ↓

Analogs

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Popular Name: 5-(2-pyridyl)-4-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-thiol 5-(2-pyridyl)-4-(3,3,3-trifluoro…

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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) 2.34 7.67 -43.97 0 4 -1 44 273.263 4 ↓
Mid Mid (pH 6-8) 1.61 7.62 -10.25 1 4 0 47 274.271 4 ↓

Analogs

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Popular Name: N-methyl-2-[3-(2-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-methyl-2-[3-(2-pyridyl)-5-sulf…

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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) 0.25 4.29 -57.64 1 6 -1 73 248.291 3 ↓
Mid Mid (pH 6-8) -0.48 4.26 -18.01 2 6 0 76 249.299 3 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[3-(2-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N,N-dimethyl-2-[3-(2-pyridyl)-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) 0.05 6.24 -59.12 0 6 -1 64 262.318 3 ↓
Mid Mid (pH 6-8) -0.67 6.17 -18.38 1 6 0 67 263.326 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.37 6.85 -54.54 0 6 -1 70 263.302 4 ↓
Lo Low (pH 4.5-6) 0.64 6.8 -15.53 1 6 0 73 264.31 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.37 6.85 -54.56 0 6 -1 70 263.302 4 ↓
Lo Low (pH 4.5-6) 0.64 6.8 -15.58 1 6 0 73 264.31 4 ↓

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) 1.75 7.77 -54.88 0 6 -1 70 277.329 5 ↓
Mid Mid (pH 6-8) 1.02 7.72 -15.41 1 6 0 73 278.337 5 ↓

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) 1.75 7.77 -54.87 0 6 -1 70 277.329 5 ↓
Mid Mid (pH 6-8) 1.02 7.72 -15.39 1 6 0 73 278.337 5 ↓

Analogs

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Popular Name: 4-[(2S)-3-methoxy-2-methyl-propyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(2S)-3-methoxy-2-methyl-propy…

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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) 1.87 6.58 -48.6 0 5 -1 53 263.346 5 ↓
Mid Mid (pH 6-8) 1.15 6.54 -11.38 1 5 0 56 264.354 5 ↓

Analogs

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Popular Name: 4-[(2R)-3-methoxy-2-methyl-propyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(2R)-3-methoxy-2-methyl-propy…

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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) 1.87 7.02 -51.05 0 5 -1 53 263.346 5 ↓
Mid Mid (pH 6-8) 1.15 6.99 -12.52 1 5 0 56 264.354 5 ↓

Analogs

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Popular Name: 4-[4-(dimethylamino)butyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[4-(dimethylamino)butyl]-5-(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) 1.72 9.37 -64.32 1 5 0 48 277.397 6 ↓
Mid Mid (pH 6-8) 0.99 9.35 -43.75 2 5 1 51 278.405 6 ↓

Analogs

214168
214168

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Popular Name: 4-[4-[isopropyl(methyl)amino]butyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[4-[isopropyl(methyl)amino]but…

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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) 2.39 10.57 -62.3 1 5 0 48 305.451 7 ↓
Mid Mid (pH 6-8) 1.66 10.53 -42.2 2 5 1 51 306.459 7 ↓

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) 1.34 8.22 -47.75 0 6 -1 70 277.329 6 ↓
Mid Mid (pH 6-8) 0.62 8.17 -12.18 1 6 0 73 278.337 6 ↓

Analogs

214168
214168

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Popular Name: 4-[(1R)-2-(diethylamino)-1-methyl-ethyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(1R)-2-(diethylamino)-1-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) 2.29 9.55 -47.11 1 5 0 48 291.424 6 ↓
Hi High (pH 8-9.5) 2.29 7.75 -48.35 0 5 -1 47 290.416 6 ↓
Lo Low (pH 4.5-6) 1.56 8.71 -33.97 2 5 1 51 292.432 6 ↓

Analogs

214168
214168

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Popular Name: 4-[(1S)-2-(diethylamino)-1-methyl-ethyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(1S)-2-(diethylamino)-1-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) 2.29 9.53 -47.2 1 5 0 48 291.424 6 ↓
Hi High (pH 8-9.5) 2.29 7.43 -48.81 0 5 -1 47 290.416 6 ↓
Lo Low (pH 4.5-6) 1.56 10.19 -33.39 2 5 1 51 292.432 6 ↓

Analogs

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Popular Name: 4-[2-(diisopropylamino)ethyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[2-(diisopropylamino)ethyl]-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) 2.52 9.77 -47.16 1 5 0 48 305.451 6 ↓
Hi High (pH 8-9.5) 2.52 7.7 -50.62 0 5 -1 47 304.443 6 ↓
Lo Low (pH 4.5-6) 1.79 9.75 -35.92 2 5 1 51 306.459 6 ↓

Analogs

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Popular Name: 4-[3-(dimethylamino)propyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[3-(dimethylamino)propyl]-5-(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) 1.44 8.59 -58.96 1 5 0 48 263.37 5 ↓
Mid Mid (pH 6-8) 0.72 8.56 -42.69 2 5 1 51 264.378 5 ↓

Analogs

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Popular Name: 4-(3-ethoxypropyl)-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-(3-ethoxypropyl)-5-(2-pyridyl)…

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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) 1.77 7.31 -50.13 0 5 -1 53 263.346 6 ↓
Mid Mid (pH 6-8) 1.05 7.29 -12.22 1 5 0 56 264.354 6 ↓

Analogs

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Popular Name: 4-(2-diethylaminoethyl)-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-(2-diethylaminoethyl)-5-(2-pyr…

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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) 1.93 9.2 -48.71 1 5 0 48 277.397 6 ↓
Hi High (pH 8-9.5) 1.93 7.07 -48.72 0 5 -1 47 276.389 6 ↓
Lo Low (pH 4.5-6) 1.20 9.17 -38.06 2 5 1 51 278.405 6 ↓

Analogs

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Popular Name: 4-[(1S)-1-(dimethylaminomethyl)-3-methyl-butyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(1S)-1-(dimethylaminomethyl)-…

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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) 2.81 9.58 -51.55 1 5 0 48 305.451 6 ↓
Hi High (pH 8-9.5) 2.81 8.69 -49.87 0 5 -1 47 304.443 6 ↓
Lo Low (pH 4.5-6) 2.09 11.42 -36.14 2 5 1 51 306.459 6 ↓

Analogs

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Popular Name: 4-[(1R)-1-(dimethylaminomethyl)-3-methyl-butyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(1R)-1-(dimethylaminomethyl)-…

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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) 2.81 10.74 -52.56 1 5 0 48 305.451 6 ↓
Hi High (pH 8-9.5) 2.81 7.97 -50.27 0 5 -1 47 304.443 6 ↓
Lo Low (pH 4.5-6) 2.09 11.34 -35.8 2 5 1 51 306.459 6 ↓

Analogs

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Popular Name: 4-[(1S)-3-(dimethylamino)-1-methyl-propyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(1S)-3-(dimethylamino)-1-meth…

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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) 1.81 8.8 -55.75 1 5 0 48 277.397 5 ↓
Mid Mid (pH 6-8) 1.08 9.03 -37.58 2 5 1 51 278.405 5 ↓

Analogs

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Popular Name: 4-[(1R)-3-(dimethylamino)-1-methyl-propyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(1R)-3-(dimethylamino)-1-meth…

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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) 1.81 8.8 -55.53 1 5 0 48 277.397 5 ↓
Mid Mid (pH 6-8) 1.08 9.03 -37.53 2 5 1 51 278.405 5 ↓

Parameters Provided:

ring.id = 186907
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 186907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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