UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12233485
12233485

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Popular Name: 4-oxo-8-phenyl-N-propyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-8-phenyl-N-propyl-6,7-dihy…

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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 -0.06 -17.14 1 7 0 80 299.334 4 ↓

Analogs

12233615
12233615

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Popular Name: N-butyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-butyl-4-oxo-8-phenyl-6,7-dihyd…

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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 0.06 -16.99 1 7 0 80 313.361 5 ↓

Analogs

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Popular Name: N-isobutyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-isobutyl-4-oxo-8-phenyl-6,7-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) 1.75 0.44 -16.91 1 7 0 80 313.361 4 ↓

Analogs

12233462
12233462

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Popular Name: 4-oxo-8-phenyl-N-sec-butyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-8-phenyl-N-sec-butyl-6,7-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) 1.83 0.74 -17.3 1 7 0 80 313.361 4 ↓

Analogs

12233460
12233460

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Popular Name: 4-oxo-8-phenyl-N-sec-butyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-8-phenyl-N-sec-butyl-6,7-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) 1.83 0.74 -17.32 1 7 0 80 313.361 4 ↓

Analogs

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Popular Name: N-allyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-allyl-4-oxo-8-phenyl-6,7-dihyd…

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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) 1.27 0.3 -17.04 1 7 0 80 297.318 4 ↓

Analogs

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Popular Name: N-isopentyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-isopentyl-4-oxo-8-phenyl-6,7-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) 2.28 0.37 -16.98 1 7 0 80 327.388 5 ↓

Analogs

12233500
12233500

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Popular Name: N-(2-methoxyethyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-methoxyethyl)-4-oxo-8-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) 0.61 -0.8 -18.3 1 8 0 89 315.333 5 ↓

Analogs

12233504
12233504

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Popular Name: N-(3-methoxypropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-methoxypropyl)-4-oxo-8-phen…

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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 -0.74 -17.68 1 8 0 89 329.36 6 ↓

Analogs

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Popular Name: N-(3-isopropoxypropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-isopropoxypropyl)-4-oxo-8-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) 1.62 -0.5 -17.48 1 8 0 89 357.414 7 ↓

Analogs

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Popular Name: N-(2-hydroxyethyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-hydroxyethyl)-4-oxo-8-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) -0.01 -3.03 -19.64 2 8 0 100 301.306 4 ↓

Analogs

12233451
12233451

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Popular Name: N-(3-hydroxypropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-hydroxypropyl)-4-oxo-8-phen…

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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 -2.97 -18.45 2 8 0 100 315.333 5 ↓

Analogs

12233492
12233492

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Popular Name: N-[(2R)-2-hydroxypropyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[(2R)-2-hydroxypropyl]-4-oxo-8…

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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 -2.73 -17.83 2 8 0 100 315.333 4 ↓

Analogs

12233489
12233489

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Popular Name: N-[(2S)-2-hydroxypropyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[(2S)-2-hydroxypropyl]-4-oxo-8…

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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 -2.8 -17.9 2 8 0 100 315.333 4 ↓

Analogs

12233498
12233498

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Popular Name: N-[(1S)-1-(hydroxymethyl)propyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxami N-[(1S)-1-(hydroxymethyl)propyl]…

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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 -2.43 -18.03 2 8 0 100 329.36 5 ↓

Analogs

12233496
12233496

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Popular Name: N-[(1R)-1-(hydroxymethyl)propyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxami N-[(1R)-1-(hydroxymethyl)propyl]…

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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 -2.01 -17.77 2 8 0 100 329.36 5 ↓

Analogs

12233471
12233471

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Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[2-(2-hydroxyethoxy)ethyl]-4-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) -0.12 -3.62 -21.18 2 9 0 110 345.359 7 ↓

Analogs

12233474
12233474

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Popular Name: N-(3-ethoxypropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-ethoxypropyl)-4-oxo-8-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) 1.26 -0.76 -17.6 1 8 0 89 343.387 7 ↓

Analogs

12233509
12233509

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Popular Name: N-(2-dimethylaminoethyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-dimethylaminoethyl)-4-oxo-8…

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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) 0.66 0.38 -47.53 2 8 1 85 329.384 5 ↓

Analogs

12233507
12233507

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Popular Name: N-(2-diethylaminoethyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-diethylaminoethyl)-4-oxo-8-…

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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) 1.41 0.74 -45.38 2 8 1 85 357.438 7 ↓

Analogs

12233514
12233514

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Popular Name: N-(3-dimethylaminopropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-dimethylaminopropyl)-4-oxo-…

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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) 0.93 0.51 -49.04 2 8 1 85 343.411 6 ↓

Analogs

12233512
12233512

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Popular Name: N-(3-diethylaminopropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-diethylaminopropyl)-4-oxo-8…

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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) 1.68 0.65 -47.47 2 8 1 85 371.465 8 ↓

Analogs

12233454
12233454

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Popular Name: 4-oxo-N-pentyl-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-N-pentyl-8-phenyl-6,7-dihy…

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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) 2.57 0.18 -17.06 1 7 0 80 327.388 6 ↓

Analogs

12233653
12233653
12233681
12233681

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Popular Name: 4-oxo-N-propyl-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-N-propyl-8-(p-tolyl)-6,7-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) 1.95 0.26 -17.12 1 7 0 80 313.361 4 ↓

Analogs

12233666
12233666
12233820
12233820

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Popular Name: N-butyl-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-butyl-4-oxo-8-(p-tolyl)-6,7-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) 2.51 0.38 -16.97 1 7 0 80 327.388 5 ↓

Analogs

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Popular Name: N-isopropyl-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-isopropyl-4-oxo-8-(p-tolyl)-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) 1.75 0.68 -17.45 1 7 0 80 313.361 3 ↓

Analogs

12233641
12233641

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Popular Name: N-isobutyl-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-isobutyl-4-oxo-8-(p-tolyl)-6,7…

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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) 2.20 0.76 -16.9 1 7 0 80 327.388 4 ↓

Analogs

12233660
12233660

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Popular Name: 4-oxo-8-(p-tolyl)-N-sec-butyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-8-(p-tolyl)-N-sec-butyl-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) 2.28 1.06 -17.28 1 7 0 80 327.388 4 ↓

Analogs

12233656
12233656

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Popular Name: 4-oxo-8-(p-tolyl)-N-sec-butyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-8-(p-tolyl)-N-sec-butyl-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) 2.28 1.06 -17.25 1 7 0 80 327.388 4 ↓

Analogs

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Popular Name: N-allyl-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-allyl-4-oxo-8-(p-tolyl)-6,7-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) 1.72 0.63 -16.93 1 7 0 80 311.345 4 ↓

Analogs

12233645
12233645

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Popular Name: N-isopentyl-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-isopentyl-4-oxo-8-(p-tolyl)-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) 2.73 0.69 -16.92 1 7 0 80 341.415 5 ↓

Analogs

12233694
12233694

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Popular Name: N-(2-methoxyethyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-methoxyethyl)-4-oxo-8-(p-to…

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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 -0.48 -18.17 1 8 0 89 329.36 5 ↓

Analogs

12233697
12233697

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Popular Name: N-(3-methoxypropyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-methoxypropyl)-4-oxo-8-(p-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) 1.33 -0.42 -17.61 1 8 0 89 343.387 6 ↓

Analogs

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Popular Name: N-(3-isopropoxypropyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-isopropoxypropyl)-4-oxo-8-(…

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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) 2.07 -0.17 -17.39 1 8 0 89 371.441 7 ↓

Analogs

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Popular Name: N-(2-hydroxyethyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-hydroxyethyl)-4-oxo-8-(p-to…

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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) 0.44 -2.71 -19.57 2 8 0 100 315.333 4 ↓

Analogs

12233641
12233641

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Popular Name: N-(3-hydroxypropyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-hydroxypropyl)-4-oxo-8-(p-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) 0.71 -2.65 -18.38 2 8 0 100 329.36 5 ↓

Analogs

12233687
12233687

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Popular Name: N-[(2R)-2-hydroxypropyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[(2R)-2-hydroxypropyl]-4-oxo-8…

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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 -2.4 -17.82 2 8 0 100 329.36 4 ↓

Analogs

12233684
12233684

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Popular Name: N-[(2S)-2-hydroxypropyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[(2S)-2-hydroxypropyl]-4-oxo-8…

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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 -2.47 -19.09 2 8 0 100 329.36 4 ↓

Analogs

12233691
12233691

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Popular Name: N-[(1S)-1-(hydroxymethyl)propyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carbox N-[(1S)-1-(hydroxymethyl)propyl]…

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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 -1.69 -17.71 2 8 0 100 343.387 5 ↓

Analogs

12233688
12233688

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Popular Name: N-[(1R)-1-(hydroxymethyl)propyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carbox N-[(1R)-1-(hydroxymethyl)propyl]…

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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 -1.69 -17.7 2 8 0 100 343.387 5 ↓

Analogs

12233670
12233670

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Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamid N-[2-(2-hydroxyethoxy)ethyl]-4-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) 0.33 -3.29 -21.11 2 9 0 110 359.386 7 ↓

Analogs

12233672
12233672

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Popular Name: N-(3-ethoxypropyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-ethoxypropyl)-4-oxo-8-(p-to…

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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 -0.43 -17.56 1 8 0 89 357.414 7 ↓

Analogs

12233701
12233701

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Popular Name: N-(2-dimethylaminoethyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-dimethylaminoethyl)-4-oxo-8…

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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) 1.10 0.7 -47.42 2 8 1 85 343.411 5 ↓

Analogs

12233699
12233699

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Popular Name: N-(2-diethylaminoethyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-diethylaminoethyl)-4-oxo-8-…

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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) 1.86 1.07 -45.24 2 8 1 85 371.465 7 ↓

Analogs

12233706
12233706

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Popular Name: N-(3-dimethylaminopropyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-dimethylaminopropyl)-4-oxo-…

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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 0.83 -48.91 2 8 1 85 357.438 6 ↓

Analogs

12233703
12233703

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Popular Name: N-(3-diethylaminopropyl)-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-diethylaminopropyl)-4-oxo-8…

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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) 2.13 0.97 -47.38 2 8 1 85 385.492 8 ↓

Analogs

12233711
12233711

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Popular Name: N-[(1R)-4-diethylamino-1-methyl-butyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3- N-[(1R)-4-diethylamino-1-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) 2.73 2.11 -46.09 2 8 1 85 413.546 9 ↓

Analogs

12233709
12233709

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Popular Name: N-[(1S)-4-diethylamino-1-methyl-butyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3- N-[(1S)-4-diethylamino-1-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) 2.73 2.11 -46.04 2 8 1 85 413.546 9 ↓

Analogs

12233645
12233645

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Popular Name: 4-oxo-N-pentyl-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-N-pentyl-8-(p-tolyl)-6,7-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) 3.02 0.5 -16.98 1 7 0 80 341.415 6 ↓

Analogs

12233866
12233866

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Popular Name: 8-(4-methoxyphenyl)-4-oxo-N-propyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 8-(4-methoxyphenyl)-4-oxo-N-prop…

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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) 1.56 -0.05 -18.9 1 8 0 89 329.36 5 ↓

Parameters Provided:

ring.id = 97741
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 = 97741 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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