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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propoxy]benzonitrile 2-[(3Z)-2-oxo-3-(1,3,3-trimethyl…

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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) 4.19 12.19 -18.01 0 4 0 53 332.403 4 ↓

Analogs

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Popular Name: 4-[(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propoxy]benzonitrile 4-[(3E)-2-oxo-3-(1,3,3-trimethyl…

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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) 4.24 12.2 -12.87 0 4 0 53 332.403 4 ↓

Analogs

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Popular Name: (3Z)-1-(3-nitrophenoxy)-3-(1,3,3-trimethylindolin-2-ylidene)propan-2-one (3Z)-1-(3-nitrophenoxy)-3-(1,3,3…

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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) 4.42 12.33 -16.86 0 6 0 75 352.39 5 ↓

Analogs

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Popular Name: 2-[(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propoxy]benzoic 2-[(3Z)-2-oxo-3-(1,3,3-trimethyl…

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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) 4.43 11.88 -72.04 0 5 -1 70 350.394 5 ↓

Analogs

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Popular Name: 4-[(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propoxy]benzene-1,3-dicarboxylic 4-[(3Z)-2-oxo-3-(1,3,3-trimethyl…

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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) 4.31 11.51 -130.55 0 7 -2 110 393.395 6 ↓

Analogs

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Popular Name: (3Z)-1-(4-methylsulfonylphenoxy)-3-(1,3,3-trimethylindolin-2-ylidene)propan-2-one (3Z)-1-(4-methylsulfonylphenoxy)…

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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) 3.35 9.33 -18.63 0 5 0 64 385.485 5 ↓
Mid Mid (pH 6-8) 3.35 9.02 -16.82 0 5 0 64 385.485 5 ↓

Parameters Provided:

ring.id = 20774
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 = 20774 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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