UCSF
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Analogs

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Popular Name: 5-amino-6-(4-propylphenoxy)indolin-2-one 5-amino-6-(4-propylphenoxy)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) 3.56 5.96 -7.65 3 4 0 64 282.343 4 ↓

Analogs

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Popular Name: 5-amino-6-(2,3-difluorophenoxy)indolin-2-one 5-amino-6-(2,3-difluorophenoxy)i…

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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) 2.48 3.92 -11.72 3 4 0 64 276.242 2 ↓

Analogs

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Popular Name: 5-amino-6-(3,5-difluorophenoxy)indolin-2-one 5-amino-6-(3,5-difluorophenoxy)i…

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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) 2.50 3.88 -7.53 3 4 0 64 276.242 2 ↓

Analogs

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Popular Name: 5-amino-6-[3-(methoxymethyl)phenoxy]indolin-2-one 5-amino-6-[3-(methoxymethyl)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) 2.18 3.47 -9.34 3 5 0 74 284.315 4 ↓

Analogs

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Popular Name: (3R)-3-amino-6-[3-(methoxymethyl)phenoxy]indolin-2-one (3R)-3-amino-6-[3-(methoxymethyl…

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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) 0.08 2.48 -7.62 3 5 0 74 284.315 4 ↓
Mid Mid (pH 6-8) 0.08 2.77 -52.75 4 5 1 75 285.323 4 ↓
Mid Mid (pH 6-8) 0.08 2.77 -51.99 4 5 1 75 285.323 4 ↓

Parameters Provided:

ring.id = 43865
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 = 43865 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=43865&filter.purchasability=annotated

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