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Analogs

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Popular Name: 4-chloro-N-(3-methoxypropyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine 4-chloro-N-(3-methoxypropyl)-N-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) 1.06 11.22 -9.56 0 8 0 82 283.723 6 ↓

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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) 1.00 6.54 -13.44 1 10 0 117 311.327 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) 1.38 7.45 -13.09 1 10 0 117 325.354 8 ↓

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) 1.76 8.27 -13.02 1 10 0 117 339.381 9 ↓

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) 1.74 9.29 -13.67 0 10 0 108 339.381 8 ↓

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) 2.49 11.42 -12.96 0 10 0 108 367.435 10 ↓

Analogs

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Popular Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2,4-triazol-3-amine 1-(4,6-dimethoxy-1,3,5-triazin-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) -0.60 1.35 -10.58 2 9 0 114 223.196 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-1,4-dimethylpentyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine 4-chloro-N-[(1R)-1,4-dimethylpen…

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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) 2.69 13.04 -7.05 1 7 0 81 295.778 6 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-1,4-dimethylpentyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine 4-chloro-N-[(1S)-1,4-dimethylpen…

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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) 2.69 13.04 -6.97 1 7 0 81 295.778 6 ↓

Analogs

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Popular Name: (3S)-3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methyl-amino]butanenitrile (3S)-3-[[4-chloro-6-(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) 0.59 12.54 -16.38 0 8 0 96 278.707 4 ↓

Analogs

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Popular Name: (3R)-3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methyl-amino]butanenitrile (3R)-3-[[4-chloro-6-(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) 0.59 12.54 -16.39 0 8 0 96 278.707 4 ↓

Analogs

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Popular Name: 4-chloro-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine 4-chloro-6-(1,2,4-triazol-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) 1.64 10.41 -9.15 1 7 0 81 293.64 5 ↓

Analogs

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Popular Name: 4-chloro-N-(1,1-dimethylpropyl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine 4-chloro-N-(1,1-dimethylpropyl)-…

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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) 2.49 13.13 -7.28 0 7 0 73 281.751 4 ↓

Analogs

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Popular Name: 4-chloro-N-(2-methylsulfanylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine 4-chloro-N-(2-methylsulfanylethy…

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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) 0.97 10.48 -7.98 1 7 0 81 271.737 5 ↓

Analogs

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Popular Name: 4-chloro-N-(3-methylsulfanylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine 4-chloro-N-(3-methylsulfanylprop…

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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) 1.24 11.26 -8.39 1 7 0 81 285.764 6 ↓

Analogs

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Popular Name: 4-chloro-N-[(2S)-2-methyl-3-methylsulfanyl-propyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine 4-chloro-N-[(2S)-2-methyl-3-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) 1.71 11.9 -7.85 1 7 0 81 299.791 6 ↓

Analogs

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Popular Name: 4-chloro-N-[(2R)-2-methyl-3-methylsulfanyl-propyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine 4-chloro-N-[(2R)-2-methyl-3-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) 1.71 11.9 -7.86 1 7 0 81 299.791 6 ↓

Parameters Provided:

ring.id = 13086
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 = 13086 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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