UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12233794
12233794

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Popular Name: 4-oxo-N-phenethyl-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-N-phenethyl-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) 2.43 0.14 -18.48 1 7 0 80 361.405 5 ↓

Analogs

12233798
12233798
12233969
12233969

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[2-(2-methoxyphenyl)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) 2.44 0.24 -19.92 1 8 0 89 391.431 6 ↓

Analogs

12233801
12233801
12664144
12664144

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxami N-[2-(3,4-dimethoxyphenyl)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) 2.08 0.49 -22.58 1 9 0 99 421.457 7 ↓

Analogs

12233803
12233803
12233967
12233967
12233972
12233972

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[2-(4-methoxyphenyl)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) 2.49 0.16 -20.07 1 8 0 89 391.431 6 ↓

Analogs

12233828
12233828
12233995
12233995

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Popular Name: N-[2-(3-methoxyphenyl)ethyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[2-(3-methoxyphenyl)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) 2.46 0.16 -20.19 1 8 0 89 391.431 6 ↓

Analogs

12664141
12664141

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

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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) 1.12 -6.1 -26.79 3 10 0 140 440.485 6 ↓

Analogs

12233593
12233593

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Popular Name: 4-oxo-N-phenethyl-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-N-phenethyl-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) 2.88 0.47 -18.37 1 7 0 80 375.432 5 ↓

Analogs

12233969
12233969
12233597
12233597

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamid N-[2-(2-methoxyphenyl)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) 2.89 0.57 -19.86 1 8 0 89 405.458 6 ↓

Analogs

12233599
12233599

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carbox N-[2-(3,4-dimethoxyphenyl)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) 2.53 0.81 -22.47 1 9 0 99 435.484 7 ↓

Analogs

12233602
12233602

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamid N-[2-(4-methoxyphenyl)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) 2.94 0.49 -20 1 8 0 89 405.458 6 ↓

Analogs

12233620
12233620

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Popular Name: N-[2-(3-methoxyphenyl)ethyl]-4-oxo-8-(p-tolyl)-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamid N-[2-(3-methoxyphenyl)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) 2.91 0.49 -20.04 1 8 0 89 405.458 6 ↓

Analogs

12233972
12233972
12233602
12233602

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Popular Name: 8-(4-methoxyphenyl)-4-oxo-N-phenethyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 8-(4-methoxyphenyl)-4-oxo-N-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) 2.49 0.15 -20.12 1 8 0 89 391.431 6 ↓

Analogs

12233597
12233597
12233798
12233798

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Popular Name: 8-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-ca 8-(4-methoxyphenyl)-N-[2-(2-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) 2.50 0.25 -21.56 1 9 0 99 421.457 7 ↓

Analogs

12233602
12233602
12233967
12233967

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Popular Name: 8-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-ca 8-(4-methoxyphenyl)-N-[2-(4-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) 2.54 0.17 -21.71 1 9 0 99 421.457 7 ↓

Analogs

12233620
12233620

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Popular Name: 8-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-ca 8-(4-methoxyphenyl)-N-[2-(3-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) 2.52 0.17 -21.85 1 9 0 99 421.457 7 ↓

Analogs

12234157
12234157

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

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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) 2.86 0.17 -19.98 1 8 0 89 405.458 7 ↓

Analogs

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Popular Name: 8-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-car 8-(4-ethoxyphenyl)-N-[2-(2-metho…

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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) 2.87 0.27 -21.48 1 9 0 99 435.484 8 ↓

Analogs

12234151
12234151

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Popular Name: 8-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-car 8-(4-ethoxyphenyl)-N-[2-(4-metho…

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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) 2.92 0.19 -21.61 1 9 0 99 435.484 8 ↓

Analogs

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Popular Name: 8-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-car 8-(4-ethoxyphenyl)-N-[2-(3-metho…

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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) 2.90 0.19 -21.62 1 9 0 99 435.484 8 ↓

Analogs

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

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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) 2.59 0.88 -19.45 1 7 0 80 379.395 5 ↓

Analogs

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Popular Name: 8-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-car 8-(4-fluorophenyl)-N-[2-(2-metho…

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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) 2.60 0.98 -20.9 1 8 0 89 409.421 6 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-(4-fluorophenyl)-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3 N-[2-(3,4-dimethoxyphenyl)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) 2.24 1.23 -23.61 1 9 0 99 439.447 7 ↓

Analogs

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Popular Name: 8-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-car 8-(4-fluorophenyl)-N-[2-(4-metho…

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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) 2.65 0.9 -21.05 1 8 0 89 409.421 6 ↓

Analogs

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Popular Name: 8-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxo-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-car 8-(4-fluorophenyl)-N-[2-(3-metho…

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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) 2.63 0.9 -21.15 1 8 0 89 409.421 6 ↓

Parameters Provided:

ring.id = 97789
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 = 97789 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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