UCSF
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Analogs

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Popular Name: N-[(3S)-2,3-dihydrobenzofuran-3-yl]-4-methyl-phthalazin-1-amine N-[(3S)-2,3-dihydrobenzofuran-3-…

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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) 3.39 7.53 -26.99 2 4 1 48 278.335 2 ↓
Mid Mid (pH 6-8) 3.39 7.56 -28.53 2 4 1 48 278.335 2 ↓
Mid Mid (pH 6-8) 3.39 7.45 -10.3 1 4 0 47 277.327 2 ↓

Analogs

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Popular Name: N-[(3R)-2,3-dihydrobenzofuran-3-yl]-4-methyl-phthalazin-1-amine N-[(3R)-2,3-dihydrobenzofuran-3-…

Find On: PubMed — Wikipedia — Google

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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) 3.39 7.52 -27.95 2 4 1 48 278.335 2 ↓
Mid Mid (pH 6-8) 3.39 7.44 -11.19 1 4 0 47 277.327 2 ↓
Mid Mid (pH 6-8) 3.39 7.56 -29.46 2 4 1 48 278.335 2 ↓

Parameters Provided:

ring.id = 528629
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 = 528629 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=528629&filter.purchasability=annotated

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