UCSF
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Analogs

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Popular Name: 6-oxo-1-phenyl-N-[(1S)-1-(2-pyridyl)ethyl]-4,5-dihydro-1,2,4-triazine-3-carboxamide 6-oxo-1-phenyl-N-[(1S)-1-(2-pyri…

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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) 0.80 5 -11.04 2 7 0 87 323.356 4 ↓
Lo Low (pH 4.5-6) 0.80 5.19 -41.03 3 7 1 88 324.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-oxo-1-phenyl-N-[(1R)-1-(2-pyridyl)ethyl]-4,5-dihydro-1,2,4-triazine-3-carboxamide 6-oxo-1-phenyl-N-[(1R)-1-(2-pyri…

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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) 0.80 5 -11.07 2 7 0 87 323.356 4 ↓
Lo Low (pH 4.5-6) 0.80 5.19 -41.4 3 7 1 88 324.364 4 ↓

Analogs

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Popular Name: (5R)-5-methyl-6-oxo-1-phenyl-N-[(1S)-1-(2-pyridyl)ethyl]-4,5-dihydro-1,2,4-triazine-3-carboxamide (5R)-5-methyl-6-oxo-1-phenyl-N-[…

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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) 1.13 5.63 -10.69 2 7 0 87 337.383 4 ↓
Lo Low (pH 4.5-6) 1.13 5.81 -41 3 7 1 88 338.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-6-oxo-1-phenyl-N-[(1S)-1-(2-pyridyl)ethyl]-4,5-dihydro-1,2,4-triazine-3-carboxamide (5S)-5-methyl-6-oxo-1-phenyl-N-[…

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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) 1.13 5.63 -10.7 2 7 0 87 337.383 4 ↓
Lo Low (pH 4.5-6) 1.13 5.81 -40.58 3 7 1 88 338.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-6-oxo-1-phenyl-N-[(1R)-1-(2-pyridyl)ethyl]-4,5-dihydro-1,2,4-triazine-3-carboxamide (5R)-5-methyl-6-oxo-1-phenyl-N-[…

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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) 1.13 5.63 -10.67 2 7 0 87 337.383 4 ↓
Lo Low (pH 4.5-6) 1.13 5.81 -40.6 3 7 1 88 338.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-6-oxo-1-phenyl-N-[(1R)-1-(2-pyridyl)ethyl]-4,5-dihydro-1,2,4-triazine-3-carboxamide (5S)-5-methyl-6-oxo-1-phenyl-N-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.13 5.63 -10.72 2 7 0 87 337.383 4 ↓
Lo Low (pH 4.5-6) 1.13 5.8 -40.99 3 7 1 88 338.391 4 ↓

Parameters Provided:

ring.id = 192322
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 = 192322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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