UCSF
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Popular Name: (2R)-1-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)pyrrolidine-2-carboxylic (2R)-1-([1,2,4]triazolo[3,4-a]ph…

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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) -0.23 10.37 -43.33 1 7 0 88 283.291 2 ↓
Mid Mid (pH 6-8) -0.23 9.52 -48.54 0 7 -1 86 282.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)pyrrolidine-2-carboxylic (2S)-1-([1,2,4]triazolo[3,4-a]ph…

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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) -0.23 10.29 -39.14 1 7 0 88 283.291 2 ↓
Mid Mid (pH 6-8) -0.23 9.47 -48.49 0 7 -1 86 282.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)pyrrolidine-2-carboxylic (2R)-1-(3-methyl-[1,2,4]triazolo…

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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) -0.14 10.21 -43.63 1 7 0 88 297.318 2 ↓
Mid Mid (pH 6-8) -0.14 9.35 -49.78 0 7 -1 86 296.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)pyrrolidine-2-carboxylic (2S)-1-(3-methyl-[1,2,4]triazolo…

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) -0.14 10.12 -39.33 1 7 0 88 297.318 2 ↓
Mid Mid (pH 6-8) -0.14 9.3 -49.77 0 7 -1 86 296.31 2 ↓

Parameters Provided:

ring.id = 120871
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 = 120871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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