UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

17086661
17086661
17086662
17086662
1170402
1170402

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Popular Name: 1-[(4-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one 1-[(4-chlorophenyl)methyl]-3-[2-…

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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) 4.98 1.02 -13.93 1 4 0 57 419.908 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one 1-[(4-chlorophenyl)methyl]-3-[2-…

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) 4.98 0.85 -13.69 1 4 0 57 419.908 6 ↓

Analogs

4555369
4555369
4555370
4555370
4555371
4555371
4555372
4555372
4555373
4555373

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Popular Name: (3R)-3-[2-(4-tert-butylphenyl)-2-keto-ethyl]-1-(3-fluorobenzyl)-3-hydroxy-oxindole (3R)-3-[2-(4-tert-butylphenyl)-2…

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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) 5.23 2.41 -16.18 1 4 0 57 431.507 6 ↓

Analogs

4555369
4555369
4555370
4555370
4555371
4555371
4555372
4555372
4555373
4555373

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Popular Name: (3S)-3-[2-(4-tert-butylphenyl)-2-keto-ethyl]-1-(3-fluorobenzyl)-3-hydroxy-oxindole (3S)-3-[2-(4-tert-butylphenyl)-2…

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) 5.23 2.52 -11.88 1 4 0 57 431.507 6 ↓

Parameters Provided:

ring.id = 3443
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 = 3443 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=3443&filter.purchasability=annotated

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