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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39555273
39555273

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Popular Name: N-(benzofuran-2-ylmethyl)-1H-indazol-7-amine N-(benzofuran-2-ylmethyl)-1H-ind…

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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) 3.40 6.26 -8.64 2 4 0 54 263.3 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-1H-indazol-7-amine N-[(1S)-1-(benzofuran-2-yl)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) 3.96 6.97 -8.82 2 4 0 54 277.327 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-1H-indazol-7-amine N-[(1R)-1-(benzofuran-2-yl)ethyl…

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) 3.96 6.97 -8.81 2 4 0 54 277.327 3 ↓

Parameters Provided:

ring.id = 147035
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 = 147035 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=147035&filter.purchasability=annotated

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