UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-yl)-5-methyl-pyrazole-3-carboxylic 1-(1,3-benzothiazol-2-yl)-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) 2.67 -0.13 -65.36 0 5 -1 71 258.282 2 ↓

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-yl)-5-ethyl-pyrazole-3-carboxylic 1-(1,3-benzothiazol-2-yl)-5-ethy…

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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) 3.25 -0.01 -65 0 5 -1 71 272.309 3 ↓

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-yl)-5-isopropyl-1H-pyrazole-3-carboxylic acid 1-(1,3-benzothiazol-2-yl)-5-isop…

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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) 3.73 0.3 -64.92 0 5 -1 71 286.336 3 ↓

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-yl)-5-tert-butyl-pyrazole-3-carboxylic 1-(1,3-benzothiazol-2-yl)-5-tert…

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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) 4.40 0.51 -67 0 5 -1 71 300.363 3 ↓

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-yl)-N-isobutyl-5-isopropyl-pyrazole-3-carboxamide 1-(1,3-benzothiazol-2-yl)-N-isob…

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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) 4.47 -0.55 -11.87 1 5 0 60 342.468 5 ↓

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-yl)-5-isopropyl-N-(2-methoxyethyl)pyrazole-3-carboxamide 1-(1,3-benzothiazol-2-yl)-5-isop…

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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) 3.34 -1.79 -13.73 1 6 0 69 344.44 6 ↓

Analogs

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Popular Name: N-[1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-(trifluoromethyl)pyrazol-4-yl]ethylideneamino]-3-methyl- N-[1-[1-(1,3-benzothiazol-2-yl)-…

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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) 4.62 -0.76 -13.23 2 7 0 92 425.436 6 ↓

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-yl)-4-chloro-pyrazol-3-amine 1-(1,3-benzothiazol-2-yl)-4-chlo…

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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) 2.85 5.91 -11 2 4 0 57 250.714 1 ↓

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-yl)-4-methyl-pyrazol-3-amine 1-(1,3-benzothiazol-2-yl)-4-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) 2.62 6.09 -10.5 2 4 0 57 230.296 1 ↓

Analogs

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Popular Name: 1-(6-amino-1,3-benzothiazol-2-yl)-N,N-dimethyl-pyrazole-3-carboxamide 1-(6-amino-1,3-benzothiazol-2-yl…

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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) 1.37 4.85 -11.79 2 6 0 77 287.348 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.19 8.87 -9.09 2 6 0 83 316.386 4 ↓

Parameters Provided:

ring.id = 43442
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 = 43442 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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