UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(1,3-benzothiazol-2-yl)-1H-pyridazin-6-one 3-(1,3-benzothiazol-2-yl)-1H-pyr…

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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 1.37 -49.64 0 4 -1 62 228.256 1 ↓
Lo Low (pH 4.5-6) 2.30 3.23 -11.11 1 4 0 59 229.264 1 ↓

Analogs

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Popular Name: 2-(6-chloropyridazin-3-yl)-1,3-benzothiazole 2-(6-chloropyridazin-3-yl)-1,3-b…

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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) 3.65 5.28 -12.59 0 3 0 39 247.71 1 ↓

Analogs

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Popular Name: 6-(1,3-benzothiazol-2-yl)pyridazin-3-amine 6-(1,3-benzothiazol-2-yl)pyridaz…

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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) 2.46 3.64 -14.81 2 4 0 65 228.28 1 ↓

Analogs

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Popular Name: 6-(1,3-benzothiazol-2-yl)-N-methyl-pyridazin-3-amine 6-(1,3-benzothiazol-2-yl)-N-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) 2.83 4.61 -11.58 1 4 0 51 242.307 2 ↓

Analogs

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Popular Name: 6-(1,3-benzothiazol-2-yl)-N-ethyl-pyridazin-3-amine 6-(1,3-benzothiazol-2-yl)-N-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) 3.21 5.42 -11.06 1 4 0 51 256.334 3 ↓

Analogs

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Popular Name: [6-(1,3-benzothiazol-2-yl)pyridazin-3-yl]hydrazine [6-(1,3-benzothiazol-2-yl)pyrida…

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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 3.51 -16.04 3 5 0 77 243.295 2 ↓

Parameters Provided:

ring.id = 370638
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 = 370638 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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