UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497266
35497266

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Popular Name: 1-methyl-5-[(R)-methylamino(4-pyridyl)methyl]indolin-2-one 1-methyl-5-[(R)-methylamino(4-py…

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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) 1.38 6.69 -56.41 2 4 1 50 268.34 3 ↓
Hi High (pH 8-9.5) 1.38 5.66 -9.14 1 4 0 45 267.332 3 ↓

Analogs

35497264
35497264

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Popular Name: 1-methyl-5-[(S)-methylamino(4-pyridyl)methyl]indolin-2-one 1-methyl-5-[(S)-methylamino(4-py…

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) 1.38 6.7 -56.49 2 4 1 50 268.34 3 ↓
Hi High (pH 8-9.5) 1.38 5.64 -9.4 1 4 0 45 267.332 3 ↓

Parameters Provided:

ring.id = 17229
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 = 17229 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=17229&filter.purchasability=annotated

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