UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

628838
628838

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Popular Name: (5E)-2-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylene]thiazolo[2,3-e][1,2,4]triazol-6-one (5E)-2-(4-chlorophenyl)-5-[(2,4-…

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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) 4.50 9.26 -12.34 0 6 0 66 399.859 4 ↓

Analogs

6477803
6477803

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Popular Name: [2-methoxy-4-[(Z)-[2-(4-methoxyphenyl)-6-oxo-thiazolo[2,3-e][1,2,4]triazol-5-ylidene]methyl]phenyl] [2-methoxy-4-[(Z)-[2-(4-methoxyp…

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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) 2.98 10.08 -19.72 0 8 0 92 423.45 6 ↓

Analogs

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Popular Name: [2-[(5Z)-6-oxo-5-[(4-propoxyphenyl)methylene]thiazolo[2,3-e][1,2,4]triazol-2-yl]phenyl] [2-[(5Z)-6-oxo-5-[(4-propoxyphen…

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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) 4.22 12.22 -20.56 0 7 0 83 421.478 7 ↓

Analogs

16733081
16733081
34966797
34966797

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Popular Name: [2-[(5E)-5-[(3,4-dimethoxyphenyl)methylene]-6-oxo-thiazolo[2,3-e][1,2,4]triazol-2-yl]phenyl] [2-[(5E)-5-[(3,4-dimethoxyphenyl…

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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) 2.94 10.72 -23.43 0 8 0 92 423.45 6 ↓

Analogs

34965979
34965979
34967087
34967087
632602
632602
634270
634270

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Popular Name: [2-[(5E)-5-[(4-methoxyphenyl)methylene]-6-oxo-thiazolo[2,3-e][1,2,4]triazol-2-yl]phenyl] [2-[(5E)-5-[(4-methoxyphenyl)met…

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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 10.81 -21.65 0 7 0 83 393.424 5 ↓

Analogs

16701200
16701200
16701305
16701305
16728746
16728746
1303134
1303134

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Popular Name: (5Z)-5-[(4-isopentyloxy-3-methoxy-phenyl)methylene]-2-phenyl-thiazolo[2,3-e][1,2,4]triazol-6-one (5Z)-5-[(4-isopentyloxy-3-methox…

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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) 5.08 12.04 -17.31 0 6 0 66 421.522 7 ↓

Analogs

16712976
16712976
19912682
19912682
3648980
3648980

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Popular Name: (5Z)-5-[(4-butoxyphenyl)methylene]-2-(p-tolyl)thiazolo[2,3-e][1,2,4]triazol-6-one (5Z)-5-[(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) 5.73 12.2 -15.42 0 5 0 57 391.496 6 ↓

Analogs

19913106
19913106
26503240
26503240

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Popular Name: (5Z)-2-(2,4-dichlorophenyl)-5-[(3-methoxy-4-pentoxy-phenyl)methylene]thiazolo[2,3-e][1,2,4]triazol-6 (5Z)-2-(2,4-dichlorophenyl)-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) 6.66 13.38 -15.24 0 6 0 66 490.412 8 ↓

Analogs

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Popular Name: (5Z)-2-(3-chlorophenyl)-5-(3,5-ditert-butyl-4-hydroxy-benzylidene)thiazolo[2,3-e][1,2,4]triazol-6-on (5Z)-2-(3-chlorophenyl)-5-(3,5-d…

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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) 7.49 1.54 -13.9 1 5 0 67 468.022 4 ↓

Analogs

6214011
6214011
16699831
16699831
2699615
2699615

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Popular Name: (5Z)-5-(3,4-dichlorobenzylidene)-2-(4-isobutoxyphenyl)thiazolo[2,3-e][1,2,4]triazol-6-one (5Z)-5-(3,4-dichlorobenzylidene)…

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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) 6.25 0.53 -13.38 0 5 0 56 446.359 5 ↓

Parameters Provided:

ring.id = 145448
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 = 145448 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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