UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-[2-(2-bromophenyl)-2-keto-ethyl]-3-hydroxy-1-isopropyl-oxindole (3R)-3-[2-(2-bromophenyl)-2-keto…

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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) 3.42 -0.13 -13.63 1 4 0 57 388.261 4 ↓

Analogs

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Popular Name: (3S)-3-[2-(2-bromophenyl)-2-keto-ethyl]-3-hydroxy-1-isopropyl-oxindole (3S)-3-[2-(2-bromophenyl)-2-keto…

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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) 3.42 -0.05 -13.85 1 4 0 57 388.261 4 ↓

Analogs

19863936
19863936
19863940
19863940
634423
634423
644720
644720
644722
644722

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Popular Name: (3S)-5,7-dichloro-3-[(1S)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]-3-hydroxy-indolin-2-one (3S)-5,7-dichloro-3-[(1S)-2-(4-c…

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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) 4.16 7.18 -12.22 2 4 0 66 384.646 3 ↓

Analogs

19863940
19863940
634423
634423
644720
644720
644722
644722

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Popular Name: (3R)-5,7-dichloro-3-[(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]-3-hydroxy-indolin-2-one (3R)-5,7-dichloro-3-[(1R)-2-(4-c…

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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) 4.16 7.46 -12.26 2 4 0 66 384.646 3 ↓

Analogs

634423
634423
644720
644720
644722
644722

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5,7-dichloro-3-[(1S)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]-3-hydroxy-indolin-2-one (3R)-5,7-dichloro-3-[(1S)-2-(4-c…

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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) 4.16 6.91 -8.58 2 4 0 66 384.646 3 ↓

Analogs

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Popular Name: (3R)-7-bromo-3-[2-(4-fluorophenyl)-2-keto-ethyl]-3-hydroxy-5-methyl-oxindole (3R)-7-bromo-3-[2-(4-fluoropheny…

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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) 3.07 -1.23 -11.53 2 4 0 66 378.197 3 ↓

Analogs

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Popular Name: (3S)-7-bromo-3-[2-(4-fluorophenyl)-2-keto-ethyl]-3-hydroxy-5-methyl-oxindole (3S)-7-bromo-3-[2-(4-fluoropheny…

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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) 3.07 -1.16 -11.54 2 4 0 66 378.197 3 ↓

Analogs

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Popular Name: (3S)-1-allyl-5-bromo-3-hydroxy-3-[2-keto-2-(4-nitrophenyl)ethyl]oxindole (3S)-1-allyl-5-bromo-3-hydroxy-3…

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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) 3.38 0.68 -13.67 1 7 0 103 431.242 6 ↓

Analogs

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Popular Name: (3R)-1-allyl-5-bromo-3-hydroxy-3-[2-keto-2-(4-nitrophenyl)ethyl]oxindole (3R)-1-allyl-5-bromo-3-hydroxy-3…

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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) 3.38 0.58 -13.52 1 7 0 103 431.242 6 ↓

Parameters Provided:

ring.id = 22309
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 = 22309 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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