UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5Z)-2-(cyclopentylamino)-5-[[2-(difluoromethoxy)-3-methoxy-phenyl]methylene]thiazol-4-one (5Z)-2-(cyclopentylamino)-5-[[2-…

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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) 3.79 6.4 -17.7 1 5 0 60 368.405 6 ↓
Hi High (pH 8-9.5) 3.79 5.42 -45.93 0 5 -1 63 367.397 6 ↓
Lo Low (pH 4.5-6) 3.79 7.32 -33.41 2 5 1 62 369.413 6 ↓

Analogs

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Popular Name: 4-[(E)-[(2Z)-2-cyclopentylimino-4-oxo-thiazolidin-5-ylidene]methyl]benzonitrile 4-[(E)-[(2Z)-2-cyclopentylimino-…

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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) 3.17 7.49 -14.39 1 4 0 66 297.383 3 ↓
Hi High (pH 8-9.5) 3.17 6.51 -38.41 0 4 -1 68 296.375 3 ↓

Analogs

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Popular Name: 3-[(E)-[(2Z)-2-cyclopentylimino-4-oxo-thiazolidin-5-ylidene]methyl]benzonitrile 3-[(E)-[(2Z)-2-cyclopentylimino-…

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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) 3.15 7.46 -12.82 1 4 0 66 297.383 3 ↓
Hi High (pH 8-9.5) 3.15 6.48 -36.97 0 4 -1 68 296.375 3 ↓

Analogs

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Popular Name: (2Z,5E)-5-benzylidene-2-cyclopentylimino-thiazolidin-4-one (2Z,5E)-5-benzylidene-2-cyclopen…

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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) 3.42 7.07 -12.65 1 3 0 42 272.373 3 ↓
Hi High (pH 8-9.5) 3.42 6.09 -40.74 0 3 -1 44 271.365 3 ↓

Parameters Provided:

ring.id = 93151
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 = 93151 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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