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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41537042
41537042
38005557
38005557
38005558
38005558

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-[(3,5-dimethyl-1…

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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) 0.81 5.23 -50.69 2 6 -1 98 288.327 4 ↓
Lo Low (pH 4.5-6) 0.81 3.41 -14.52 3 6 0 95 289.335 4 ↓

Analogs

38005557
38005557
38005558
38005558
41537039
41537039

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-[(3,5-dimethyl-1…

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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) 0.81 4.97 -43.98 2 6 -1 98 288.327 4 ↓
Lo Low (pH 4.5-6) 0.81 3.02 -10.47 3 6 0 95 289.335 4 ↓

Analogs

36610925
36610925
36610924
36610924

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxyli (1S,4R,5S,6R)-6-[methyl-[(1-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) 0.68 7.73 -50.41 0 6 -1 78 288.327 4 ↓
Lo Low (pH 4.5-6) 0.68 5.88 -15.05 1 6 0 75 289.335 4 ↓

Analogs

36610925
36610925
36610924
36610924

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxyli (1S,4R,5S,6S)-6-[methyl-[(1-meth…

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Activity (Go SEA)

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) 0.68 7.39 -53.69 0 6 -1 78 288.327 4 ↓
Lo Low (pH 4.5-6) 0.68 5.19 -9.63 1 6 0 75 289.335 4 ↓

Parameters Provided:

ring.id = 545760
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 = 545760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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