UCSF
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Analogs

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Popular Name: (2E)-6-methyl-2-(2-pyridylmethylene)thiazolo[3,2-b][1,2,4]triazine-3,7-dione (2E)-6-methyl-2-(2-pyridylmethyl…

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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) 0.47 4.05 -17.37 0 6 0 77 272.289 1 ↓
Lo Low (pH 4.5-6) 0.47 3.7 -39.81 1 6 1 78 273.297 1 ↓

Analogs

4817461
4817461

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Popular Name: (2E)-6-methyl-2-(3-pyridylmethylene)thiazolo[3,2-b][1,2,4]triazine-3,7-dione (2E)-6-methyl-2-(3-pyridylmethyl…

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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) 0.41 2.95 -14.9 0 6 0 77 272.289 1 ↓
Lo Low (pH 4.5-6) 0.41 3.23 -51.76 1 6 1 78 273.297 1 ↓

Analogs

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Popular Name: (2Z)-6-methyl-2-[(4-propoxyphenyl)methylene]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (2Z)-6-methyl-2-[(4-propoxypheny…

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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) 2.58 5.39 -14.04 0 6 0 74 329.381 4 ↓

Analogs

19879336
19879336
19929017
19929017
632351
632351

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Popular Name: (2Z)-2-[(4-butoxy-3-methoxy-phenyl)methylene]-6-methyl-thiazolo[3,2-b][1,2,4]triazine-3,7-dione (2Z)-2-[(4-butoxy-3-methoxy-phen…

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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) 2.73 6.09 -15.14 0 7 0 83 373.434 6 ↓

Analogs

19879336
19879336
19929017
19929017
2378296
2378296
632351
632351

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Popular Name: (2Z)-2-[(3-methoxy-4-pentoxy-phenyl)methylene]-6-methyl-thiazolo[3,2-b][1,2,4]triazine-3,7-dione (2Z)-2-[(3-methoxy-4-pentoxy-phe…

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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) 3.23 6.87 -15.15 0 7 0 83 387.461 7 ↓

Analogs

34967765
34967765

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Popular Name: (2Z)-2-[(4-butoxyphenyl)methylene]-6-methyl-thiazolo[3,2-b][1,2,4]triazine-3,7-dione (2Z)-2-[(4-butoxyphenyl)methylen…

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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) 3.14 6.17 -13.62 0 6 0 74 343.408 5 ↓

Analogs

4351720
4351720
13750547
13750547
13750659
13750659
16732754
16732754

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Popular Name: (2E)-6-benzyl-2-(4-tert-butylbenzylidene)thiazolo[3,2-b][1,2,4]triazine-3,7-quinone (2E)-6-benzyl-2-(4-tert-butylben…

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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) 5.33 0.09 -13.5 0 5 0 64 403.507 4 ↓

Parameters Provided:

ring.id = 133670
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 = 133670 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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