UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60220065
60220065

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Popular Name: 2-(2-tert-butyltetrazol-5-yl)sulfanyl-4-phenyl-thiazole 2-(2-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) 3.85 7.41 -9.3 0 5 0 57 317.443 4 ↓

Analogs

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Popular Name: 2-[5-[4-[3,5-bis(trifluoromethyl)phenyl]thiazol-2-yl]sulfanyltetrazol-2-yl]acetic 2-[5-[4-[3,5-bis(trifluoromethyl…

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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) 3.62 8.24 -43.43 0 7 -1 97 454.357 7 ↓

Analogs

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Popular Name: 4-phenyl-2-(2-propyltetrazol-5-yl)sulfanyl-thiazole 4-phenyl-2-(2-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) 3.54 6.94 -8.91 0 5 0 57 303.416 5 ↓

Analogs

60219223
60219223

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Popular Name: 2-(2-isopropyltetrazol-5-yl)sulfanyl-4-phenyl-thiazole 2-(2-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) 3.40 6.86 -9.2 0 5 0 57 303.416 4 ↓

Analogs

60215855
60215855

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Popular Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-tert-butyltetrazol-5-yl)sulfanyl-thiazole 4-[3,5-bis(trifluoromethyl)pheny…

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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) 5.57 9.42 -8.36 0 5 0 57 453.437 6 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)sulfanyl-thiazole 4-(4-chlorophenyl)-2-(2-methylte…

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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 5.86 -9.34 0 5 0 57 309.807 3 ↓

Parameters Provided:

ring.id = 198229
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 = 198229 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=198229&filter.purchasability=annotated

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