UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497297
35497297
35497348
35497348
35497350
35497350
35497227
35497227
35497229
35497229

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Popular Name: 5-[(R)-cyclohexyl(methylamino)methyl]-1-methyl-indolin-2-one 5-[(R)-cyclohexyl(methylamino)me…

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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) 3.36 8.56 -50.36 2 3 1 37 273.4 3 ↓

Analogs

35497348
35497348
35497350
35497350
35497227
35497227
35497229
35497229
35497230
35497230

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Popular Name: 5-[(S)-cyclohexyl(methylamino)methyl]-1-methyl-indolin-2-one 5-[(S)-cyclohexyl(methylamino)me…

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) 3.36 8.54 -50.39 2 3 1 37 273.4 3 ↓

Parameters Provided:

ring.id = 17239
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 = 17239 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=17239&filter.purchasability=annotated

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