UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15938438
15938438
15938439
15938439
15938441
15938441
4131144
4131144
4131145
4131145

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Popular Name: [(1S)-1-[(3S,5R)-2-acetyl-5-methyl-1-phenyl-pyrazolidin-3-yl]-2-oxo-propyl] [(1S)-1-[(3S,5R)-2-acetyl-5-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) 1.82 9.64 -12.07 0 6 0 67 332.4 6 ↓

Analogs

15938439
15938439
15938441
15938441
4131144
4131144
4131145
4131145

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-[(3S,5R)-2-acetyl-5-methyl-1-phenyl-pyrazolidin-3-yl]-2-oxo-propyl] [(1R)-1-[(3S,5R)-2-acetyl-5-meth…

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) 1.82 9.71 -12.4 0 6 0 67 332.4 6 ↓

Analogs

15938441
15938441
4131144
4131144
4131145
4131145

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-[(3R,5R)-2-acetyl-5-methyl-1-phenyl-pyrazolidin-3-yl]-2-oxo-propyl] [(1S)-1-[(3R,5R)-2-acetyl-5-meth…

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) 1.82 10.64 -15.47 0 6 0 67 332.4 6 ↓

Analogs

4131144
4131144
4131145
4131145

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-[(3R,5R)-2-acetyl-5-methyl-1-phenyl-pyrazolidin-3-yl]-2-oxo-propyl] [(1R)-1-[(3R,5R)-2-acetyl-5-meth…

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) 1.82 9.52 -13.33 0 6 0 67 332.4 6 ↓

Parameters Provided:

ring.id = 255109
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 = 255109 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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