UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7Z)-3-(1,3-benzodioxol-5-yl)-7-[(4-methoxyphenyl)methylene]-2,4-dihydrothiazolo[3,2-a][1,3,5]triazi (7Z)-3-(1,3-benzodioxol-5-yl)-7-…

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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) 4.52 5.99 -11.12 0 7 0 65 395.44 3 ↓

Analogs

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Popular Name: (7Z)-3-(1,3-benzodioxol-5-yl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrothiazolo[3,2-a][1,3,5]tria (7Z)-3-(1,3-benzodioxol-5-yl)-7-…

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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) 5.22 -4.69 -10.76 0 6 0 56 391.452 3 ↓

Analogs

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Popular Name: (7Z)-7-[(4-methoxyphenyl)methylene]-3-(3-nitrophenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one (7Z)-7-[(4-methoxyphenyl)methyle…

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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) 4.57 7.68 -13.26 0 8 0 93 396.428 4 ↓

Analogs

1240206
1240206

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Popular Name: (7Z)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylene]-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-o (7Z)-3-(4-methoxyphenyl)-7-[(4-m…

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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) 4.69 6.31 -10.45 0 6 0 56 381.457 4 ↓

Analogs

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Popular Name: (7Z)-3-(4-acetylphenyl)-7-(4-nitrobenzylidene)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one (7Z)-3-(4-acetylphenyl)-7-(4-nit…

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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 -3.14 -16.11 0 8 0 100 408.439 4 ↓

Analogs

12602634
12602634
2220478
2220478
2233632
2233632

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Popular Name: 8-(2-oxoindolin-3-ylidene)-4-(p-tolyl)-9-thia-2,4,6-triazabicyclo[4.3.0]non-1-en-7-one 8-(2-oxoindolin-3-ylidene)-4-(p-…

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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) 4.79 -6.14 -8.9 1 6 0 70 376.441 1 ↓

Analogs

9090124
9090124

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Popular Name: 8-benzylidene-3-[3-(trifluoromethyl)phenyl]-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one 8-benzylidene-3-[3-(trifluoromet…

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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) 5.45 -1.91 -8.54 0 4 0 37 389.402 3 ↓

Analogs

2348809
2348809

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Popular Name: 8-(2-thienylmethylene)-4-(3,4,5-trimethoxyphenyl)-9-thia-2,4,6-triazabicyclo[4.3.0]non-1-en-7-one 8-(2-thienylmethylene)-4-(3,4,5-…

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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) 4.11 -3.96 -12 0 7 0 65 417.512 5 ↓

Parameters Provided:

ring.id = 147055
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 = 147055 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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