UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,4-dimethyl-6-[(3-methylisoxazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[(3-methylisoxazo…

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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) -0.75 2.54 -10.69 1 8 0 95 251.246 3 ↓

Analogs

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Popular Name: 6-[(3-methylisoxazol-5-yl)methylamino]-2H-1,2,4-triazine-3,5-dione 6-[(3-methylisoxazol-5-yl)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) -0.89 -1.19 -10.5 3 8 0 117 223.192 3 ↓
Mid Mid (pH 6-8) -0.43 -2.85 -37.78 2 8 -1 120 222.184 3 ↓

Analogs

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-2-phenyl-propanoic (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 0.04 2.23 -44.53 3 8 -1 131 275.244 4 ↓
Mid Mid (pH 6-8) 0.50 0.59 -109.69 2 8 -2 134 274.236 4 ↓

Analogs

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-2-phenyl-propanoic (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 0.04 2.25 -44.5 3 8 -1 131 275.244 4 ↓
Mid Mid (pH 6-8) 0.50 0.59 -109.69 2 8 -2 134 274.236 4 ↓

Analogs

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Popular Name: 6-[[4-(2-aminoethyl)phenyl]methylamino]-2H-1,2,4-triazine-3,5-dione 6-[[4-(2-aminoethyl)phenyl]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) -0.85 -0.13 -50.13 6 7 1 118 262.293 5 ↓
Mid Mid (pH 6-8) -0.39 -1.79 -73.4 5 7 0 121 261.285 5 ↓

Analogs

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Popular Name: 6-[[4-(2-aminoethyl)phenyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione 6-[[4-(2-aminoethyl)phenyl]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) -0.71 3.6 -50.45 4 7 1 97 290.347 5 ↓

Analogs

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Popular Name: 6-[(3-aminophenyl)methylamino]-2H-1,2,4-triazine-3,5-dione 6-[(3-aminophenyl)methylamino]-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) -0.78 -1.08 -6.76 5 7 0 117 233.231 3 ↓
Mid Mid (pH 6-8) -0.32 -2.75 -37.56 4 7 -1 120 232.223 3 ↓

Analogs

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Popular Name: 6-[(3-aminophenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione 6-[(3-aminophenyl)methylamino]-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) -0.64 2.65 -7.14 3 7 0 95 261.285 3 ↓

Analogs

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Popular Name: 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]pro 3-[(3,5-dioxo-2H-1,2,4-triazin-6…

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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) -0.43 -0.95 -27.69 5 14 0 207 393.316 8 ↓
Hi High (pH 8-9.5) 0.03 -1.55 -104.03 3 14 -2 213 391.3 8 ↓
Mid Mid (pH 6-8) 0.03 -2.62 -60.04 4 14 -1 210 392.308 8 ↓

Analogs

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Popular Name: 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]propanamid 3-(3,5-dioxo-2H-1,2,4-triazin-6-…

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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) 0.01 -0.23 -26.96 4 13 0 195 378.301 7 ↓
Mid Mid (pH 6-8) 0.46 -1.81 -50.8 3 13 -1 198 377.293 7 ↓
Mid Mid (pH 6-8) 0.46 -0.74 -94.71 2 13 -2 201 376.285 7 ↓

Analogs

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Popular Name: N,N-dibenzyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide N,N-dibenzyl-2-[(3,5-dioxo-2H-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) 1.66 -3.77 -13.1 2 7 0 99 382.445 7 ↓

Analogs

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Popular Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(p-tolylsulfonyl)acetamide 2-[(3,5-dioxo-2H-1,2,4-triazin-6…

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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) -0.03 -8.97 -18.21 3 9 0 142 356.385 5 ↓

Analogs

11990945
11990945

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.52 -2.74 -10.3 3 7 0 108 360.317 5 ↓

Analogs

11990944
11990944

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.52 -2.73 -10.21 3 7 0 108 360.317 5 ↓

Analogs

11990947
11990947

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Popular Name: (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanamide (2R)-N-[2-chloro-5-(trifluoromet…

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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) 2.18 -2.99 -11.95 3 7 0 108 394.762 5 ↓

Analogs

11990946
11990946

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Popular Name: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanamide (2S)-N-[2-chloro-5-(trifluoromet…

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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) 2.18 -2.98 -11.92 3 7 0 108 394.762 5 ↓

Analogs

11990949
11990949

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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 -5.04 -11.71 3 8 0 117 322.346 5 ↓

Analogs

11990948
11990948

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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 -5.03 -11.78 3 8 0 117 322.346 5 ↓

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide N-(3,4-dimethoxyphenyl)-2-[(3,5-…

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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) -0.04 -5.15 -16.41 3 9 0 126 338.345 6 ↓

Analogs

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Popular Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide N-(1,5-dimethyl-3-oxo-2-phenyl-p…

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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) -0.30 -4.63 -30.66 3 10 0 135 388.409 5 ↓

Analogs

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Popular Name: 6-[2-(4-chlorophenoxy)ethylsulfanyl]-2H-1,2,4-triazine-3,5-dione 6-[2-(4-chlorophenoxy)ethylsulfa…

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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 -4.59 -7.72 2 6 0 88 299.739 5 ↓

Analogs

2607040
2607040

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Popular Name: 6-[2-(4-methoxyphenoxy)ethylsulfanyl]-2H-1,2,4-triazine-3,5-dione 6-[2-(4-methoxyphenoxy)ethylsulf…

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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) 1.25 -4.44 -8.9 2 7 0 97 295.32 6 ↓

Analogs

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Popular Name: 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-ethoxy-3-methoxy-phenyl)methyleneamino]propanamide 3-(3,5-dioxo-2H-1,2,4-triazin-6-…

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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) 0.75 1.81 -20.11 3 10 0 139 361.358 8 ↓
Mid Mid (pH 6-8) 1.20 0.23 -46.35 2 10 -1 142 360.35 8 ↓

Analogs

11995065
11995065
6143859
6143859
6143860
6143860

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Popular Name: [(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]tetrahydropyran-2-yl [(2S,3R,4S,5S,6R)-3,4,5-triaceto…

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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) -0.43 -1.39 -19.28 2 14 0 193 475.432 11 ↓

Analogs

6143859
6143859
6143860
6143860

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Popular Name: [(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]tetrahydropyran-2-yl [(2R,3R,4S,5S,6R)-3,4,5-triaceto…

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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) -0.43 -1.4 -19.35 2 14 0 193 475.432 11 ↓

Analogs

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Popular Name: 3-(4-ethyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-1,2,4-oxadiazo 3-(4-ethyl-3,5-dioxo-2-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) 0.32 5.31 -47.05 2 12 1 133 483.553 9 ↓
Hi High (pH 8-9.5) 0.32 3 -14.06 1 12 0 131 482.545 9 ↓
Mid Mid (pH 6-8) 0.32 5.31 -54.4 2 12 1 133 483.553 9 ↓

Analogs

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazin-6-yl]-1, N-(5-ethyl-1,3,4-thiadiazol-2-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) 0.60 5.62 -23.25 1 12 0 151 472.462 7 ↓
Hi High (pH 8-9.5) 0.79 4.54 -43.32 0 12 -1 157 471.454 7 ↓

Analogs

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Popular Name: 3-[3-[4-ethyl-3,5-dioxo-2-(p-tolyl)-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiad 3-[3-[4-ethyl-3,5-dioxo-2-(p-tol…

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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) 1.26 7.19 -23.98 1 12 0 151 482.526 8 ↓
Hi High (pH 8-9.5) 1.45 6.12 -44.95 0 12 -1 157 481.518 8 ↓

Analogs

35481728
35481728

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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) 1.45 9 -18.19 0 12 0 142 496.524 8 ↓

Analogs

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-[4-methyl-3,5-dioxo-2-(p-tolyl)-1,2,4-triazin-6-yl]-1,2,4-oxa N-(5-ethyl-1,3,4-thiadiazol-2-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) 0.89 6.21 -23.92 1 12 0 151 468.499 7 ↓
Hi High (pH 8-9.5) 1.07 5.14 -44.97 0 12 -1 157 467.491 7 ↓

Analogs

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Popular Name: N-[(1S)-3-(2-furyl)-1-methyl-propyl]-3-[3-[4-methyl-3,5-dioxo-2-(p-tolyl)-1,2,4-triazin-6-yl]-1,2,4- N-[(1S)-3-(2-furyl)-1-methyl-pro…

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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 7.95 -17.27 1 11 0 138 478.509 9 ↓

Analogs

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Popular Name: N-[(1R)-3-(2-furyl)-1-methyl-propyl]-3-[3-[4-methyl-3,5-dioxo-2-(p-tolyl)-1,2,4-triazin-6-yl]-1,2,4- N-[(1R)-3-(2-furyl)-1-methyl-pro…

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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 7.95 -16.29 1 11 0 138 478.509 9 ↓

Analogs

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Popular Name: 6-(1,4-diazepan-1-yl)-2H-1,2,4-triazine-3,5-dione 6-(1,4-diazepan-1-yl)-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) -1.42 -0.22 -45.21 4 7 1 98 212.233 1 ↓
Mid Mid (pH 6-8) -0.96 -1.87 -56.95 3 7 0 102 211.225 1 ↓

Analogs

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Popular Name: (2S,4S)-1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-(3,5-dioxo-2H-1,2,4-tr…

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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) -3.72 -2.47 -48.2 3 9 -1 142 241.183 2 ↓
Mid Mid (pH 6-8) -3.26 -4.23 -108.31 2 9 -2 145 240.175 2 ↓

Analogs

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Popular Name: (2S,4R)-1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-(3,5-dioxo-2H-1,2,4-tr…

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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) -3.72 -2.47 -48.06 3 9 -1 142 241.183 2 ↓
Mid Mid (pH 6-8) -3.26 -4.23 -110.16 2 9 -2 145 240.175 2 ↓

Analogs

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Popular Name: (3R)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic (3R)-2-(3,5-dioxo-2H-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) -1.82 3.52 -44.4 2 8 -1 122 287.255 2 ↓
Mid Mid (pH 6-8) -1.36 0.96 -111.94 1 8 -2 125 286.247 2 ↓

Analogs

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Popular Name: (3S)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-(3,5-dioxo-2H-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) -1.82 3.9 -44.1 2 8 -1 122 287.255 2 ↓
Mid Mid (pH 6-8) -1.36 2.2 -114.93 1 8 -2 125 286.247 2 ↓

Analogs

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Popular Name: (2R)-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic (2R)-4-(3,5-dioxo-2H-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) -0.19 3.08 -48.85 2 9 -1 131 289.227 2 ↓
Mid Mid (pH 6-8) 0.27 1.41 -94.39 1 9 -2 134 288.219 2 ↓

Analogs

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Popular Name: (2S)-4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic (2S)-4-(3,5-dioxo-2H-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) -0.19 3.07 -48.88 2 9 -1 131 289.227 2 ↓
Mid Mid (pH 6-8) 0.27 1.41 -94.42 1 9 -2 134 288.219 2 ↓

Analogs

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

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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) 0.08 1.61 -51.67 3 8 -1 131 261.217 4 ↓
Mid Mid (pH 6-8) 0.54 -0.04 -87.59 2 8 -2 134 260.209 4 ↓

Analogs

43413589
43413589

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Popular Name: 7-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]heptanoic 7-[(3,5-dioxo-2H-1,2,4-triazin-6…

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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 1.87 -47.83 3 8 -1 131 255.254 8 ↓
Hi High (pH 8-9.5) 0.53 0.2 -87.75 2 8 -2 134 254.246 8 ↓
Lo Low (pH 4.5-6) 0.07 -0.11 -10.93 4 8 0 128 256.262 8 ↓

Analogs

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Popular Name: (2R,4R)-1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-(3,5-dioxo-2H-1,2,4-tr…

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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) -3.11 -0.1 -47.11 2 9 -1 131 255.21 3 ↓
Mid Mid (pH 6-8) -2.65 -1.77 -108.52 1 9 -2 134 254.202 3 ↓

Analogs

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Popular Name: (2R,4S)-1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-(3,5-dioxo-2H-1,2,4-tr…

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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) -3.11 -0.1 -47 2 9 -1 131 255.21 3 ↓
Mid Mid (pH 6-8) -2.65 -1.76 -110.7 1 9 -2 134 254.202 3 ↓

Analogs

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Popular Name: (2S,4R)-1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-(3,5-dioxo-2H-1,2,4-tr…

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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) -3.11 -0.23 -43.12 2 9 -1 131 255.21 3 ↓
Mid Mid (pH 6-8) -2.65 -1.9 -104.72 1 9 -2 134 254.202 3 ↓

Analogs

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Popular Name: (2S,4S)-1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-(3,5-dioxo-2H-1,2,4-tr…

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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) -3.11 -0.21 -46.35 2 9 -1 131 255.21 3 ↓
Mid Mid (pH 6-8) -2.65 -1.87 -107.97 1 9 -2 134 254.202 3 ↓

Analogs

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

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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) -1.20 1.36 -46.72 2 8 -1 122 227.2 5 ↓
Mid Mid (pH 6-8) -0.74 -0.3 -95.65 1 8 -2 125 226.192 5 ↓
Lo Low (pH 4.5-6) -1.20 -0.61 -11.94 3 8 0 119 228.208 5 ↓

Analogs

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Popular Name: (3S)-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic (3S)-3-[(3,5-dioxo-2H-1,2,4-tria…

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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 -0.27 -43.48 3 8 -1 131 213.173 4 ↓
Mid Mid (pH 6-8) -0.93 -1.94 -97.51 2 8 -2 134 212.165 4 ↓

Analogs

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Popular Name: (3R)-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic (3R)-3-[(3,5-dioxo-2H-1,2,4-tria…

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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 -0.27 -43.52 3 8 -1 131 213.173 4 ↓
Mid Mid (pH 6-8) -0.93 -1.94 -97.5 2 8 -2 134 212.165 4 ↓

Analogs

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Popular Name: 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]benzoic 3-[(3,5-dioxo-2H-1,2,4-triazin-6…

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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) 0.79 1.61 -51.68 3 8 -1 131 247.19 3 ↓
Mid Mid (pH 6-8) 1.25 -0.03 -106.74 2 8 -2 134 246.182 3 ↓

Analogs

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Popular Name: 3-[4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperazin-1-yl]propanoic 3-[4-(3,5-dioxo-2H-1,2,4-triazin…

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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 1.99 -51.89 3 9 0 126 269.261 4 ↓
Hi High (pH 8-9.5) -1.12 -1.93 -85.66 1 9 -2 128 267.245 4 ↓
Mid Mid (pH 6-8) -1.12 0.3 -70.28 2 9 -1 130 268.253 4 ↓

Parameters Provided:

ring.id = 14891
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 = 14891 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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