UCSF
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Analogs

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Popular Name: 1-[(3S)-3-[(2S)-pyrrolidin-2-yl]-1-piperidyl]phthalazine 1-[(3S)-3-[(2S)-pyrrolidin-2-yl]…

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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 8.57 -79.54 3 4 2 47 284.407 2 ↓
Mid Mid (pH 6-8) 2.50 8.58 -79.76 3 4 2 47 284.407 2 ↓
Mid Mid (pH 6-8) 2.50 8.42 -43.29 2 4 1 46 283.399 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-[(2S)-pyrrolidin-2-yl]-1-piperidyl]phthalazine 1-[(3R)-3-[(2S)-pyrrolidin-2-yl]…

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) 2.50 8.47 -79.82 3 4 2 47 284.407 2 ↓
Mid Mid (pH 6-8) 2.50 8.48 -79.77 3 4 2 47 284.407 2 ↓
Mid Mid (pH 6-8) 2.50 8.34 -42.03 2 4 1 46 283.399 2 ↓

Parameters Provided:

ring.id = 583682
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 = 583682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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