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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-[(N'E)-N'-[(2,4-dihydroxy-5-nitro-phenyl)methylene]hydrazino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(N'E)-N'-[(2,4-dihydroxy-5-ni…

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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) 0.56 -0.98 -22.11 4 11 0 169 306.238 4 ↓
Mid Mid (pH 6-8) 0.56 -0.2 -53.24 3 11 -1 172 305.23 4 ↓
Mid Mid (pH 6-8) 0.56 0.02 -56.46 3 11 -1 172 305.23 4 ↓

Analogs

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Popular Name: 5-[(N'E)-N'-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]hydrazino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(N'E)-N'-[(3-ethoxy-4-hydroxy…

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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 2.18 -30.74 3 11 0 158 334.292 6 ↓

Analogs

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Popular Name: 5-[(N'E)-N'-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]hydrazino]-2H-1,2,4-triazin-3-one 5-[(N'E)-N'-[(4-hydroxy-3-methox…

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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) -0.20 0.59 -31.85 3 11 0 158 306.238 5 ↓

Analogs

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Popular Name: 5-[(2-fluorophenyl)methylamino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(2-fluorophenyl)methylamino]-…

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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 -4.05 -13.97 2 5 0 71 234.234 3 ↓

Analogs

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Popular Name: 5-[(4-fluorophenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(4-fluorophenyl)amino]-6-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) 1.84 -2.46 -15.74 2 5 0 71 220.207 2 ↓

Analogs

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Popular Name: 5-[(2-fluorophenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(2-fluorophenyl)amino]-6-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) 1.79 -2.17 -11.79 2 5 0 71 220.207 2 ↓

Analogs

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Popular Name: 5-[(5-chloro-2-hydroxy-phenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(5-chloro-2-hydroxy-phenyl)am…

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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) 2.06 -4.91 -15.08 3 6 0 91 252.661 2 ↓

Analogs

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Popular Name: 5-[(4-chloro-2,5-dimethoxy-phenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(4-chloro-2,5-dimethoxy-pheny…

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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) 2.33 -2.87 -13.5 2 7 0 89 296.714 4 ↓

Analogs

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Popular Name: 5-[(4-hydroxy-2-methyl-phenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(4-hydroxy-2-methyl-phenyl)am…

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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) 1.58 -4.29 -15.94 3 6 0 91 232.243 2 ↓

Analogs

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Popular Name: 5-[2-(1H-indol-3-yl)ethylamino]-6-methyl-2H-1,2,4-triazin-3-one 5-[2-(1H-indol-3-yl)ethylamino]-…

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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) 1.50 -5.52 -18.75 3 6 0 86 269.308 4 ↓

Analogs

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Popular Name: 6-methyl-5-(8-quinolylamino)-2H-1,2,4-triazin-3-one 6-methyl-5-(8-quinolylamino)-2H-…

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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 -3.61 -14.28 2 6 0 84 253.265 2 ↓

Analogs

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Popular Name: N-[4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]phenyl]acetamide N-[4-[(6-methyl-3-oxo-2H-1,2,4-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) 0.90 -4.18 -18.07 3 7 0 100 259.269 3 ↓

Analogs

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Popular Name: N-[3-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]phenyl]acetamide N-[3-[(6-methyl-3-oxo-2H-1,2,4-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) 0.87 -4.17 -17.13 3 7 0 100 259.269 3 ↓

Analogs

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Popular Name: N-[2,5-diethoxy-4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]phenyl]benzamide N-[2,5-diethoxy-4-[(6-methyl-3-o…

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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) 3.29 -3.39 -15.41 3 9 0 118 409.446 8 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 2.56 -1.84 -24.3 2 7 0 97 288.307 5 ↓

Analogs

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Popular Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-2H-1,2,4-triazin-3-one 5-(1,4-dioxa-8-azaspiro[4.5]deca…

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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 -6.87 -13.34 1 7 0 80 252.274 1 ↓

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) 0.41 -4.99 -17.01 2 8 0 100 281.316 4 ↓

Analogs

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Popular Name: 4-[[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide 4-[[(6-methyl-3-oxo-2H-1,2,4-tri…

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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 -11 -20.42 4 8 0 131 295.324 4 ↓

Analogs

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Popular Name: 6-methyl-5-[4-(m-tolyl)piperazin-1-yl]-2H-1,2,4-triazin-3-one 6-methyl-5-[4-(m-tolyl)piperazin…

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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) 1.80 -6.66 -13.09 1 6 0 65 285.351 2 ↓

Analogs

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Popular Name: 6-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-3-one 6-methyl-5-(4-pyrimidin-2-ylpipe…

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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) 0.09 -7.89 -15.8 1 8 0 91 273.3 2 ↓

Analogs

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Popular Name: 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazin-3-one 5-(cyclopropylamino)-6-methyl-2H…

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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) -0.09 -5.01 -13.72 2 5 0 71 166.184 2 ↓

Analogs

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Popular Name: 5-[(4-methoxyphenyl)methylamino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(4-methoxyphenyl)methylamino]…

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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 -4.73 -14.25 2 6 0 80 246.27 4 ↓

Analogs

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Popular Name: 5-(1-adamantylamino)-6-methyl-2H-1,2,4-triazin-3-one 5-(1-adamantylamino)-6-methyl-2H…

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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) 2.47 -3.98 -13.92 2 5 0 71 260.341 2 ↓

Analogs

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Popular Name: N-[2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]ethyl]acetamide N-[2-[(6-methyl-3-oxo-2H-1,2,4-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) -1.31 -7.03 -17.9 3 7 0 100 211.225 4 ↓

Analogs

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Popular Name: 5-[2-(4-methoxyphenoxy)ethylamino]-6-methyl-2H-1,2,4-triazin-3-one 5-[2-(4-methoxyphenoxy)ethylamin…

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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) 1.28 -4.92 -15.87 2 7 0 89 276.296 6 ↓

Analogs

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Popular Name: 5-(allylamino)-6-methyl-2H-1,2,4-triazin-3-one 5-(allylamino)-6-methyl-2H-1,2,4…

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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) 0.19 -4.32 -13.31 2 5 0 71 166.184 3 ↓

Analogs

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Popular Name: 5-(4-benzyl-1-piperidyl)-6-methyl-2H-1,2,4-triazin-3-one 5-(4-benzyl-1-piperidyl)-6-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) 2.37 -4.65 -11.44 1 5 0 62 284.363 3 ↓

Analogs

11990992
11990992
11990993
11990993
11990994
11990994

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Popular Name: 6-methyl-5-[[(1S,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one 6-methyl-5-[[(1S,2R)-2-methylcyc…

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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) 1.69 -3.73 -12.89 2 5 0 71 222.292 2 ↓

Analogs

11990993
11990993
11990994
11990994
11990991
11990991

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Popular Name: 6-methyl-5-[[(1S,2S)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one 6-methyl-5-[[(1S,2S)-2-methylcyc…

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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) 1.69 -4.31 -13.83 2 5 0 71 222.292 2 ↓

Analogs

11990994
11990994
11990991
11990991
11990992
11990992

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Popular Name: 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one 6-methyl-5-[[(1R,2R)-2-methylcyc…

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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) 1.69 -4.18 -13.7 2 5 0 71 222.292 2 ↓

Analogs

11990991
11990991
11990992
11990992

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-5-[[(1R,2S)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one 6-methyl-5-[[(1R,2S)-2-methylcyc…

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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) 1.69 -3.73 -12.93 2 5 0 71 222.292 2 ↓

Analogs

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Popular Name: 5-[(4-chloro-2,5-dimethoxy-phenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-chloro-2,5-dimethoxy-pheny…

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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) 1.69 -3.2 -14.54 2 7 0 89 282.687 4 ↓

Analogs

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Popular Name: 5-[2-(1H-indol-3-yl)ethylamino]-2H-1,2,4-triazin-3-one 5-[2-(1H-indol-3-yl)ethylamino]-…

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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 -5.84 -19.44 3 6 0 86 255.281 4 ↓

Analogs

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Popular Name: 5-(8-quinolylamino)-2H-1,2,4-triazin-3-one 5-(8-quinolylamino)-2H-1,2,4-tri…

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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 -3.99 -15.05 2 6 0 84 239.238 2 ↓

Analogs

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Popular Name: 5-[(4-fluorophenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-fluorophenyl)amino]-2H-1,2…

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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) 1.21 -2.64 -16.64 2 5 0 71 206.18 2 ↓

Analogs

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Popular Name: 5-[(2-fluorophenyl)amino]-2H-1,2,4-triazin-3-one 5-[(2-fluorophenyl)amino]-2H-1,2…

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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) 1.16 -2.46 -12.63 2 5 0 71 206.18 2 ↓

Analogs

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Popular Name: 5-[(3-chloro-4-fluoro-phenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3-chloro-4-fluoro-phenyl)ami…

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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 -2.88 -19.25 2 5 0 71 240.625 2 ↓

Analogs

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Popular Name: N-[4-[(3-oxo-2H-1,2,4-triazin-5-yl)amino]phenyl]acetamide N-[4-[(3-oxo-2H-1,2,4-triazin-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) 0.26 -4.5 -19.25 3 7 0 100 245.242 3 ↓

Analogs

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Popular Name: 4,5-dimethoxy-2-[(3-oxo-2H-1,2,4-triazin-5-yl)amino]benzoic 4,5-dimethoxy-2-[(3-oxo-2H-1,2,4…

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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) 0.71 -3.06 -46.6 2 9 -1 129 291.243 5 ↓

Analogs

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Popular Name: 5-(2-naphthylamino)-2H-1,2,4-triazin-3-one 5-(2-naphthylamino)-2H-1,2,4-tri…

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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) 2.23 -3.26 -17.81 2 5 0 71 238.25 2 ↓

Analogs

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Popular Name: 5-[(5-chloro-2-hydroxy-phenyl)amino]-2H-1,2,4-triazin-3-one 5-[(5-chloro-2-hydroxy-phenyl)am…

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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) 1.43 -5.25 -15.95 3 6 0 91 238.634 2 ↓

Analogs

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Popular Name: 5-[(3-methylsulfanylphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3-methylsulfanylphenyl)amino…

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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) 1.45 -3.82 -18.83 2 5 0 71 234.284 3 ↓

Analogs

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Popular Name: 5-[(3,4-diethoxyphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3,4-diethoxyphenyl)amino]-2H…

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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 -3.11 -18.31 2 7 0 89 276.296 6 ↓

Analogs

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Popular Name: 5-[2-(1-naphthylamino)ethylamino]-2H-1,2,4-triazin-3-one 5-[2-(1-naphthylamino)ethylamino…

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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) 1.55 -6.55 -18.12 3 6 0 83 281.319 5 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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 -2.02 -24.91 2 7 0 97 274.28 5 ↓

Analogs

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Popular Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2H-1,2,4-triazin-3-one 5-(1,4-dioxa-8-azaspiro[4.5]deca…

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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 -7.38 -13.86 1 7 0 80 238.247 1 ↓

Analogs

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Popular Name: 5-[2-(4-fluorophenyl)ethylamino]-2H-1,2,4-triazin-3-one 5-[2-(4-fluorophenyl)ethylamino]…

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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 -4.06 -18.4 2 5 0 71 234.234 4 ↓

Analogs

11991014
11991014

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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) 0.16 -4.4 -16 1 7 0 88 252.274 4 ↓

Analogs

11991013
11991013

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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) 0.16 -4.37 -16.21 1 7 0 88 252.274 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) -0.22 -5.31 -17.85 2 8 0 100 267.289 4 ↓

Parameters Provided:

ring.id = 44900
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 = 44900 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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