UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23648710
23648710
23648712
23648712
36228952
36228952
36228955
36228955

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Popular Name: (2E)-4-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3 (2E)-4-[[5-(2-ethoxyphenyl)-1,3,…

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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) 4.22 8.06 -16.94 0 7 0 94 450.545 7 ↓

Analogs

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Popular Name: (2E,4R)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxo-penta (2E,4R)-2-(3H-1,3-benzothiazol-2…

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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) 4.53 8.5 -12.45 1 6 0 96 420.519 5 ↓

Analogs

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Popular Name: (2E,4S)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxo-penta (2E,4S)-2-(3H-1,3-benzothiazol-2…

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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) 4.53 8.5 -12.46 1 6 0 96 420.519 5 ↓

Analogs

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Popular Name: (2E,4S)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl] (2E,4S)-2-(3H-1,3-benzothiazol-2…

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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) 4.17 5.92 -14.07 1 8 0 114 466.544 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,4R)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl] (2E,4R)-2-(3H-1,3-benzothiazol-2…

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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) 4.17 5.92 -14.04 1 8 0 114 466.544 7 ↓

Parameters Provided:

ring.id = 94177
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 = 94177 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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