UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-benzothiazole 4-chloro-2-(1-ethyltetrazol-5-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) 3.50 6.03 -15.43 0 5 0 57 297.796 3 ↓

Analogs

60220222
60220222

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Popular Name: 2-(1-isopropyltetrazol-5-yl)sulfanyl-1,3-benzothiazole-6-carboxylic 2-(1-isopropyltetrazol-5-yl)sulf…

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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) 3.12 6.73 -51.75 0 7 -1 97 320.379 4 ↓

Analogs

60216538
60216538

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Popular Name: 2-(1-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole-6-carboxylic 2-(1-propyltetrazol-5-yl)sulfany…

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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) 3.26 6.82 -51.38 0 7 -1 97 320.379 5 ↓

Analogs

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Popular Name: 4-chloro-2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-benzothiazole 4-chloro-2-[1-(5-methylsulfonylp…

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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) 3.57 5.92 -28 0 7 0 91 417.969 8 ↓

Analogs

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Popular Name: 4-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole 4-chloro-2-(1-propyltetrazol-5-y…

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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) 4.00 6.79 -14.79 0 5 0 57 311.823 4 ↓

Analogs

60215869
60215869

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Popular Name: 2-(1-isopropyltetrazol-5-yl)sulfanyl-6-methylsulfonyl-1,3-benzothiazole 2-(1-isopropyltetrazol-5-yl)sulf…

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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) 2.08 3.72 -19.81 0 7 0 91 355.47 4 ↓

Analogs

60220871
60220871
60215821
60215821
60216809
60216809

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Popular Name: 2-(1-ethyltetrazol-5-yl)sulfanyl-6-nitro-1,3-benzothiazole 2-(1-ethyltetrazol-5-yl)sulfanyl…

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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) 2.80 6.23 -12.96 0 8 0 102 308.348 4 ↓

Analogs

60219101
60219101

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Popular Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-1,3-benzothiazole-6-carboxylic 2-(1-tert-butyltetrazol-5-yl)sul…

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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) 3.56 6.84 -52.41 0 7 -1 97 334.406 4 ↓

Analogs

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Popular Name: 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-benzothiazole 2-[1-(5-methylsulfonylpentyl)tet…

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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 5.4 -26.51 0 7 0 91 383.524 8 ↓

Analogs

60215821
60215821
60220051
60220051

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Popular Name: 2-(1-isopropyltetrazol-5-yl)sulfanyl-6-nitro-1,3-benzothiazole 2-(1-isopropyltetrazol-5-yl)sulf…

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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) 3.17 6.9 -12.47 0 8 0 102 322.375 4 ↓

Analogs

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Popular Name: 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazol-6-amine 2-(1-methyltetrazol-5-yl)sulfany…

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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) 1.54 2.52 -14.75 2 6 0 83 264.339 2 ↓

Parameters Provided:

ring.id = 198194
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 = 198194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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