UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13009057
13009057
13009058
13009058
16437108
16437108
16437251
16437251
29982899
29982899

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Popular Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide N-(5-cyclopropyl-2-phenyl-pyrazo…

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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) 2.52 8.22 -13.97 1 6 0 59 354.454 5 ↓

Analogs

13009058
13009058
16437108
16437108
16437251
16437251
29982899
29982899
29982902
29982902

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide N-(5-cyclopropyl-2-phenyl-pyrazo…

Find On: PubMed — Wikipedia — Google

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) 2.52 7.94 -14.56 1 6 0 59 354.454 5 ↓
Lo Low (pH 4.5-6) 2.52 10.22 -51.18 2 6 1 61 355.462 5 ↓

Analogs

16437108
16437108
29982899
29982899
29982902
29982902
13009054
13009054
13009057
13009057

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide N-(5-cyclopropyl-2-phenyl-pyrazo…

Find On: PubMed — Wikipedia — Google

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) 2.52 8.25 -14.24 1 6 0 59 354.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]acetamide N-(5-cyclopropyl-2-phenyl-pyrazo…

Find On: PubMed — Wikipedia — Google

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) 2.49 7.71 -12.63 1 6 0 59 354.454 5 ↓
Lo Low (pH 4.5-6) 2.49 9.84 -47.14 2 6 1 61 355.462 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetamide N-(5-cyclopropyl-2-phenyl-pyrazo…

Find On: PubMed — Wikipedia — Google

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) 2.49 7.87 -12.4 1 6 0 59 354.454 5 ↓
Lo Low (pH 4.5-6) 2.49 10.01 -45.72 2 6 1 61 355.462 5 ↓

Parameters Provided:

ring.id = 109424
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 = 109424 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=109424&filter.purchasability=annotated

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