UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33958907
33958907
5355995
5355995
5358952
5358952

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Popular Name: 2-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one O-allyloxime 2-(4-bromophenyl)-1-(6-methoxy-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) 6.36 11.9 -7.14 0 5 0 49 480.406 6 ↓
Lo Low (pH 4.5-6) 6.36 12.61 -45.04 1 5 1 50 481.414 6 ↓

Analogs

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Popular Name: [(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino] [(E)-(3-ethyl-2-methyl-1,5,6,7-t…

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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) 4.26 9.75 -15.86 2 5 0 66 357.479 5 ↓

Analogs

38149908
38149908

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Popular Name: 1-[(E)-(2,3-diethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-3-(4-methylsulfanylphenyl)urea 1-[(E)-(2,3-diethyl-1,5,6,7-tetr…

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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) 4.68 9.5 -10.42 3 5 0 69 370.522 5 ↓

Analogs

39853081
39853081
39853118
39853118
39853153
39853153
39853155
39853155
39853190
39853190

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Popular Name: [(E)-(1,3-diethyl-2-methyl-6,7-dihydro-5H-indol-4-ylidene)amino] [(E)-(1,3-diethyl-2-methyl-6,7-d…

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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) 4.22 11.45 -16.94 1 6 0 73 381.476 6 ↓

Parameters Provided:

ring.id = 229064
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 = 229064 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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