UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]-6-chloro-indolin-2-one 1-[2-(2-aminophenyl)ethyl]-6-chl…

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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) 3.25 8.11 -6.47 2 3 0 46 286.762 3 ↓

Analogs

539815
539815
37052211
37052211
37052223
37052223
37052232
37052232
37052233
37052233

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Popular Name: N-[(3S)-2-keto-1-phenethyl-indolin-3-yl]acetamide N-[(3S)-2-keto-1-phenethyl-indol…

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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) 2.08 7.94 -15.28 1 4 0 49 294.354 4 ↓
Ref Reference (pH 7) 2.08 7.94 -15.17 1 4 0 49 294.354 4 ↓

Analogs

543639
543639
4383900
4383900
37052042
37052042
37052050
37052050
37052054
37052054

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Popular Name: N-[(3S)-2-keto-5-methyl-1-phenethyl-indolin-3-yl]acetamide N-[(3S)-2-keto-5-methyl-1-phenet…

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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) 2.51 8.63 -14.8 1 4 0 49 308.381 4 ↓
Ref Reference (pH 7) 2.51 8.63 -14.8 1 4 0 49 308.381 4 ↓

Analogs

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Popular Name: (3S)-3-amino-4,6-difluoro-1-phenethyl-indolin-2-one (3S)-3-amino-4,6-difluoro-1-phen…

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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) 0.70 6.67 -5.7 2 3 0 46 288.297 3 ↓
Mid Mid (pH 6-8) 0.70 6.98 -44.36 3 3 1 48 289.305 3 ↓

Parameters Provided:

ring.id = 35411
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 = 35411 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=35411&filter.purchasability=annotated

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