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Popular Name: 4-[(6R)-3-(3,4-dimethylphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-3-(3,4-dimethylphenyl)-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) 5.15 11.99 -59.59 2 7 0 105 424.46 3 ↓
Hi High (pH 8-9.5) 5.61 11.21 -60.23 1 7 -1 108 423.452 3 ↓

Analogs

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Popular Name: 4-[(6S)-3-(3,4-dimethylphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-3-(3,4-dimethylphenyl)-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) 5.15 11.99 -59.7 2 7 0 105 424.46 3 ↓
Hi High (pH 8-9.5) 5.61 11.21 -60.4 1 7 -1 108 423.452 3 ↓

Analogs

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Popular Name: 4-[(6R)-2-oxo-3-(p-tolyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-2-oxo-3-(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) 4.78 11.44 -59.67 2 7 0 105 410.433 3 ↓
Hi High (pH 8-9.5) 5.23 10.66 -59.8 1 7 -1 108 409.425 3 ↓

Analogs

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Popular Name: 4-[(6S)-2-oxo-3-(p-tolyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-2-oxo-3-(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) 4.78 11.45 -59.61 2 7 0 105 410.433 3 ↓
Hi High (pH 8-9.5) 5.23 10.66 -59.84 1 7 -1 108 409.425 3 ↓

Analogs

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Popular Name: 4-[(6R)-3-(4-fluorophenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-3-(4-fluorophenyl)-2-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) 4.49 10.84 -61.37 2 7 0 105 414.396 3 ↓
Hi High (pH 8-9.5) 4.95 10.05 -57.88 1 7 -1 108 413.388 3 ↓

Analogs

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Popular Name: 4-[(6S)-3-(4-fluorophenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-3-(4-fluorophenyl)-2-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) 4.49 10.84 -61.42 2 7 0 105 414.396 3 ↓
Hi High (pH 8-9.5) 4.95 10.05 -57.82 1 7 -1 108 413.388 3 ↓

Analogs

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Popular Name: 4-[(6R)-2-oxo-3-phenyl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-2-oxo-3-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) 4.33 10.77 -59.79 2 7 0 105 396.406 3 ↓
Hi High (pH 8-9.5) 4.79 9.98 -59.89 1 7 -1 108 395.398 3 ↓

Analogs

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Popular Name: 4-[(6S)-2-oxo-3-phenyl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-2-oxo-3-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) 4.33 10.76 -59.77 2 7 0 105 396.406 3 ↓
Hi High (pH 8-9.5) 4.79 9.98 -59.89 1 7 -1 108 395.398 3 ↓

Analogs

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Popular Name: 4-[(6R)-3-(4-ethoxyphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-3-(4-ethoxyphenyl)-2-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) 4.76 11 -60.91 2 8 0 114 440.459 5 ↓
Hi High (pH 8-9.5) 5.22 10.21 -59.61 1 8 -1 117 439.451 5 ↓

Analogs

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Popular Name: 4-[(6S)-3-(4-ethoxyphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-3-(4-ethoxyphenyl)-2-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) 4.76 11 -60.95 2 8 0 114 440.459 5 ↓
Hi High (pH 8-9.5) 5.22 10.21 -59.86 1 8 -1 117 439.451 5 ↓

Analogs

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Popular Name: 4-[(6R)-2-oxo-3-(2-thienyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-2-oxo-3-(2-thienyl)-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) 4.11 9.84 -59.69 2 7 0 105 402.435 3 ↓
Mid Mid (pH 6-8) 4.57 8.97 -58.99 1 7 -1 108 401.427 3 ↓

Analogs

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Popular Name: 4-[(6S)-2-oxo-3-(2-thienyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-2-oxo-3-(2-thienyl)-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) 4.11 9.84 -59.66 2 7 0 105 402.435 3 ↓
Mid Mid (pH 6-8) 4.57 8.97 -58.99 1 7 -1 108 401.427 3 ↓

Analogs

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Popular Name: 4-[(6R)-3-(4-tert-butylphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-3-(4-tert-butylphenyl)-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) 6.03 13.09 -59.34 2 7 0 105 452.514 4 ↓
Hi High (pH 8-9.5) 6.49 12.3 -59.4 1 7 -1 108 451.506 4 ↓

Analogs

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Popular Name: 4-[(6S)-3-(4-tert-butylphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-3-(4-tert-butylphenyl)-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) 6.03 13.09 -59.32 2 7 0 105 452.514 4 ↓
Hi High (pH 8-9.5) 6.49 12.3 -59.33 1 7 -1 108 451.506 4 ↓

Analogs

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Popular Name: 4-[(6R)-3-(4-isopropylphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-3-(4-isopropylphenyl)-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) 5.84 12.68 -59.43 2 7 0 105 438.487 4 ↓
Hi High (pH 8-9.5) 6.30 11.9 -59.46 1 7 -1 108 437.479 4 ↓

Analogs

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Popular Name: 4-[(6S)-3-(4-isopropylphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-3-(4-isopropylphenyl)-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) 5.84 12.68 -59.39 2 7 0 105 438.487 4 ↓
Hi High (pH 8-9.5) 6.30 11.9 -59.45 1 7 -1 108 437.479 4 ↓

Analogs

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Popular Name: 4-[(6R)-3-(4-ethylphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-3-(4-ethylphenyl)-2-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) 5.24 12.21 -59.63 2 7 0 105 424.46 4 ↓
Hi High (pH 8-9.5) 5.70 11.42 -59.66 1 7 -1 108 423.452 4 ↓

Analogs

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Popular Name: 4-[(6S)-3-(4-ethylphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-3-(4-ethylphenyl)-2-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) 5.24 12.21 -59.58 2 7 0 105 424.46 4 ↓
Hi High (pH 8-9.5) 5.70 11.42 -59.6 1 7 -1 108 423.452 4 ↓

Analogs

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Popular Name: (6R)-6-benzyl-3-(4-isopropylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one (6R)-6-benzyl-3-(4-isopropylphen…

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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) 6.14 13.06 -24.79 2 5 1 65 409.513 4 ↓
Hi High (pH 8-9.5) 6.60 12.28 -13.97 1 5 0 68 408.505 4 ↓

Analogs

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Popular Name: (6S)-6-benzyl-3-(4-isopropylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one (6S)-6-benzyl-3-(4-isopropylphen…

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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) 6.14 13.02 -24.81 2 5 1 65 409.513 4 ↓
Hi High (pH 8-9.5) 6.60 12.25 -14.01 1 5 0 68 408.505 4 ↓

Analogs

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Popular Name: 4-[(6R)-3-(4-methoxyphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-3-(4-methoxyphenyl)-2-ox…

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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) 4.38 10.08 -61.12 2 8 0 114 426.432 4 ↓
Hi High (pH 8-9.5) 4.84 9.28 -59.92 1 8 -1 117 425.424 4 ↓

Analogs

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Popular Name: 4-[(6S)-3-(4-methoxyphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-3-(4-methoxyphenyl)-2-ox…

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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) 4.38 10.07 -61.06 2 8 0 114 426.432 4 ↓
Hi High (pH 8-9.5) 4.84 9.28 -60.07 1 8 -1 117 425.424 4 ↓

Analogs

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Popular Name: (6R)-3-phenyl-6-(2-pyridyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one (6R)-3-phenyl-6-(2-pyridyl)-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) 3.25 9.26 -27.49 2 6 1 78 354.393 2 ↓
Mid Mid (pH 6-8) 3.25 8.69 -84.91 3 6 2 79 355.401 2 ↓
Mid Mid (pH 6-8) 3.70 8.48 -20.71 1 6 0 81 353.385 2 ↓

Analogs

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Popular Name: (6S)-3-phenyl-6-(2-pyridyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one (6S)-3-phenyl-6-(2-pyridyl)-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) 3.25 9.25 -27.76 2 6 1 78 354.393 2 ↓
Mid Mid (pH 6-8) 3.25 8.69 -84.98 3 6 2 79 355.401 2 ↓
Mid Mid (pH 6-8) 3.70 8.47 -20.97 1 6 0 81 353.385 2 ↓

Parameters Provided:

ring.id = 405753
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 = 405753 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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