UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33986095
33986095
4123895
4123895

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Popular Name: 2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-1-pentyl-quinolin-1-ium 2-[(E)-(3-ethyl-1,3-benzothiazol…

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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) 3.60 15.71 -24.28 0 2 1 9 375.561 6 ↓

Analogs

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Popular Name: 1-ethyl-6-methoxy-2-[(E)-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium 1-ethyl-6-methoxy-2-[(E)-(5-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) 1.72 11.23 -25.93 0 4 1 27 379.505 4 ↓

Analogs

31362744
31362744

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Popular Name: 2-[(2Z)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]ethanol 2-[(2Z)-2-[(1-ethyl-6-methyl-qui…

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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) 1.45 10.58 -24.46 1 3 1 29 363.506 4 ↓

Analogs

34855306
34855306

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Popular Name: N-[(2Z)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-3-pentyl-1,3-benzothiazol-6-yl]acetamide N-[(2Z)-2-[(1-ethyl-6-methyl-qui…

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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) 3.22 15.03 -28.45 1 4 1 38 446.64 7 ↓

Parameters Provided:

ring.id = 147167
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 = 147167 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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