UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8846540
8846540
8846561
8846561
17721790
17721790

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Popular Name: 2-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylamino]ethylidene]-5-phenyl-cyclohexane-1,3-dione 2-[1-[2-(5-methoxy-2-methyl-1H-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) 4.60 10.5 -51.36 1 5 -1 78 415.513 6 ↓
Mid Mid (pH 6-8) 4.01 -0.21 -38.67 2 5 1 73 417.529 6 ↓
Mid Mid (pH 6-8) 4.06 11.36 -15.46 2 5 0 71 416.521 6 ↓

Analogs

12418189
12418189
13572773
13572773
18280823
18280823

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Popular Name: 2-[1-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethylidene]-5-phenyl-cyclohexane-1,3-dione 2-[1-[2-(2-methyl-1H-indol-3-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) 4.56 11.18 -46.78 1 4 -1 68 385.487 5 ↓
Mid Mid (pH 6-8) 3.98 -0.23 -37.84 2 4 1 63 387.503 5 ↓
Mid Mid (pH 6-8) 4.03 12.03 -12.86 2 4 0 62 386.495 5 ↓

Analogs

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Popular Name: 5-(4-methoxyphenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylaminomethylene]cyclohexane-1,3-dione 5-(4-methoxyphenyl)-2-[2-(2-meth…

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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) 4.17 10.44 -45.18 1 5 -1 78 401.486 6 ↓
Mid Mid (pH 6-8) 3.59 -0.2 -45.86 2 5 1 73 403.502 6 ↓
Mid Mid (pH 6-8) 3.26 10.84 -15.12 2 5 0 71 402.494 6 ↓

Parameters Provided:

ring.id = 247332
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 = 247332 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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