UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60216676
60216676

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Popular Name: 4-chloro-2-[(3-isopropyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole 4-chloro-2-[(3-isopropyl-1,2,4-t…

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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) 3.99 9.4 -12.83 0 4 0 44 310.835 3 ↓

Analogs

60217437
60217437

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Popular Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic 2-[(3-ethyl-1,2,4-triazol-1-yl)s…

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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) 2.76 8.97 -50.85 0 6 -1 84 305.364 4 ↓

Analogs

60216772
60216772

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Popular Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole 2-[(3-tert-butyl-1,2,4-triazol-1…

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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) 4.03 9.5 -11.84 0 4 0 44 290.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole 4-chloro-2-[(3-propyl-1,2,4-tria…

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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) 4.01 9.72 -12.61 0 4 0 44 310.835 4 ↓

Analogs

60217732
60217732

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Popular Name: 6-methylsulfonyl-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole 6-methylsulfonyl-2-[(3-propyl-1,…

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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) 2.22 6.74 -18.21 0 6 0 78 354.482 5 ↓

Analogs

60220592
60220592
60220697
60220697
60215841
60215841
60216742
60216742

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Popular Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-6-nitro-1,3-benzothiazole 2-[(3-ethyl-1,2,4-triazol-1-yl)s…

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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) 2.81 9.14 -11.04 0 7 0 89 307.36 4 ↓

Analogs

60220697
60220697
60215841
60215841
60216742
60216742
60220461
60220461

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Popular Name: 6-nitro-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole 6-nitro-2-[(3-propyl-1,2,4-triaz…

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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) 3.31 9.91 -10.88 0 7 0 89 321.387 5 ↓

Analogs

60220461
60220461
60220592
60220592

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-butyl-1,2,4-triazol-1-yl)sulfanyl]-6-nitro-1,3-benzothiazole 2-[(3-butyl-1,2,4-triazol-1-yl)s…

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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) 3.87 10.69 -10.77 0 7 0 89 335.414 6 ↓

Parameters Provided:

ring.id = 198233
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 = 198233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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