UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38285032
38285032

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Popular Name: 2-methyl-1-[(1R)-tetralin-1-yl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R)-tetralin-1-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) 3.78 11.46 -10.49 0 2 0 22 279.383 1 ↓

Analogs

38285032
38285032

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Popular Name: 2-methyl-1-[(1S)-tetralin-1-yl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1S)-tetralin-1-yl]-…

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) 3.78 11.49 -11.07 0 2 0 22 279.383 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-tetralin-1-yl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-tetralin-1-yl]-6,7-dihyd…

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) 3.56 11.28 -10.72 0 2 0 22 265.356 1 ↓

Analogs

1719363
1719363
38285032
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-tetralin-1-yl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-tetralin-1-yl]-6,7-dihyd…

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) 3.56 11.28 -10.6 0 2 0 22 265.356 1 ↓

Parameters Provided:

ring.id = 571463
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 = 571463 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=571463&filter.purchasability=annotated

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