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Analogs

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Popular Name: 3-(2-amino-5-iodo-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-5-iodo-phenyl)-1,4-di…

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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) 1.65 1.91 -7.37 4 5 0 88 302.075 1 ↓

Analogs

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Popular Name: 3-(2-amino-3,5-dibromo-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-3,5-dibromo-phenyl)-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) 2.11 2.14 -6.58 4 5 0 88 333.971 1 ↓

Analogs

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Popular Name: 3-(2-amino-3,5-dimethyl-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-3,5-dimethyl-phenyl)-…

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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) 1.39 2.25 -7.64 4 5 0 88 204.233 1 ↓

Analogs

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Popular Name: 3-(2-amino-3-bromo-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-3-bromo-phenyl)-1,4-d…

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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) 1.35 1.53 -8.1 4 5 0 88 255.075 1 ↓

Analogs

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Popular Name: 3-(4-amino-3-fluoro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(4-amino-3-fluoro-phenyl)-1,4-…

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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) 0.73 0.4 -8.7 4 5 0 88 194.169 1 ↓

Analogs

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Popular Name: 3-(4-aminophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one 3-(4-aminophenyl)-4,5-dihydro-1H…

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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) 0.23 0.3 -8.87 4 5 0 88 176.179 1 ↓

Analogs

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Popular Name: 3-[4-(2-aminoethyl)phenyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[4-(2-aminoethyl)phenyl]-1,4-d…

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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) 0.14 1.24 -55.59 5 5 1 89 205.241 3 ↓

Analogs

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Popular Name: 3-(4-amino-3-nitro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(4-amino-3-nitro-phenyl)-1,4-d…

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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) 0.52 1.21 -14.14 4 8 0 133 221.176 2 ↓

Analogs

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Popular Name: 3-[4-(2-hydroxyethylamino)phenyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[4-(2-hydroxyethylamino)phenyl…

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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) 0.38 -1.29 -10.27 4 6 0 94 220.232 4 ↓

Analogs

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Popular Name: 3-(3-amino-4-fluoro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(3-amino-4-fluoro-phenyl)-1,4-…

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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) 0.73 0.39 -8.45 4 5 0 88 194.169 1 ↓

Analogs

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Popular Name: 3-(5-amino-2-fluoro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(5-amino-2-fluoro-phenyl)-1,4-…

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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) 0.32 0.44 -10.49 4 5 0 88 194.169 1 ↓

Analogs

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Popular Name: 3-(4-amino-3-hydroxy-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(4-amino-3-hydroxy-phenyl)-1,4…

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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) 0.34 -2.43 -10.36 5 6 0 108 192.178 1 ↓

Analogs

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Popular Name: 3-(5-amino-2,4-difluoro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(5-amino-2,4-difluoro-phenyl)-…

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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) 0.82 0.53 -9.71 4 5 0 88 212.159 1 ↓

Analogs

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Popular Name: 3-(5-amino-2-chloro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(5-amino-2-chloro-phenyl)-1,4-…

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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) 0.83 0.97 -9.55 4 5 0 88 210.624 1 ↓

Analogs

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Popular Name: 3-(2-amino-4-bromo-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-4-bromo-phenyl)-1,4-d…

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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 1.44 -7.6 4 5 0 88 255.075 1 ↓

Analogs

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Popular Name: 5-[3-amino-5-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one 5-[3-amino-5-(trifluoromethyl)ph…

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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) 1.05 1.29 -9.54 4 5 0 88 244.176 2 ↓

Analogs

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Popular Name: 3-(2-amino-6-fluoro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-6-fluoro-phenyl)-1,4-…

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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 -0.17 -9.22 4 5 0 88 194.169 1 ↓

Analogs

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Popular Name: 3-(3-amino-4-chloro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(3-amino-4-chloro-phenyl)-1,4-…

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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 0.9 -7.96 4 5 0 88 210.624 1 ↓

Analogs

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Popular Name: 3-(2-amino-5-fluoro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-5-fluoro-phenyl)-1,4-…

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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) 0.73 0.89 -8.13 4 5 0 88 194.169 1 ↓

Analogs

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Popular Name: 3-(2-amino-5-methyl-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-5-methyl-phenyl)-1,4-…

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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) 1.01 1.49 -7.68 4 5 0 88 190.206 1 ↓

Analogs

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Popular Name: 3-(2-amino-3-methyl-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-3-methyl-phenyl)-1,4-…

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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) 0.99 1.6 -7.81 4 5 0 88 190.206 1 ↓

Analogs

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Popular Name: 3-(2-amino-5-chloro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-5-chloro-phenyl)-1,4-…

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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 1.33 -7.66 4 5 0 88 210.624 1 ↓

Analogs

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Popular Name: 3-(2-amino-4-chloro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-4-chloro-phenyl)-1,4-…

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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 1.34 -7.65 4 5 0 88 210.624 1 ↓

Analogs

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Popular Name: 3-(4-amino-3-methyl-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(4-amino-3-methyl-phenyl)-1,4-…

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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) 1.01 1.07 -8.89 4 5 0 88 190.206 1 ↓

Analogs

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Popular Name: 3-(2-amino-4-fluoro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-4-fluoro-phenyl)-1,4-…

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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) 0.73 0.89 -8.03 4 5 0 88 194.169 1 ↓

Analogs

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Popular Name: 3-(2-amino-4,5-dimethoxy-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-4,5-dimethoxy-phenyl)…

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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) 0.21 0.03 -10.52 4 7 0 106 236.231 3 ↓

Analogs

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Popular Name: 3-(3-amino-4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one 3-(3-amino-4-methylphenyl)-4,5-d…

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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) 1.01 1.07 -8.31 4 5 0 88 190.206 1 ↓

Analogs

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Popular Name: 3-[2-(methylamino)phenyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[2-(methylamino)phenyl]-1,4-di…

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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) 0.96 1.77 -8.12 3 5 0 74 190.206 2 ↓

Analogs

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Popular Name: 3-(2-aminophenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-aminophenyl)-1,4-dihydro-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) 0.59 0.82 -7.96 4 5 0 88 176.179 1 ↓

Analogs

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Popular Name: 3-(2-amino-3,5-dichloro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-3,5-dichloro-phenyl)-…

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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) 1.85 1.9 -6.69 4 5 0 88 245.069 1 ↓

Analogs

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Popular Name: 3-(4-amino-5-chloro-2-methoxy-phenyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(4-amino-5-chloro-2-methoxy-ph…

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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) 1.23 0.48 -10.01 4 6 0 97 240.65 2 ↓

Analogs

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Popular Name: 2-(3-hydroxy-1H-1,2,4-triazol-5-yl)benzoic acid 2-(3-hydroxy-1H-1,2,4-triazol-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) 0.68 2.91 -48.26 2 6 -1 102 204.165 2 ↓

Parameters Provided:

ring.id = 282548
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 = 282548 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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