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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone cyclopropyl-[(2S)-2-[(2-methoxyp…

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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) 2.74 8.32 -9.58 0 3 0 30 259.349 4 ↓

Analogs

55665170
55665170

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone cyclopropyl-[(2R)-2-[(2-methoxyp…

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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) 2.74 8.15 -12.05 0 3 0 30 259.349 4 ↓

Analogs

3210623
3210623
5603622
5603622

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2S)-2-benzylpyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[(2S)-2-benzylpyrrolid…

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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) 2.21 9.37 -59.46 0 4 -1 60 272.324 4 ↓
Lo Low (pH 4.5-6) 2.21 7.69 -15.89 1 4 0 58 273.332 4 ↓

Analogs

3210623
3210623
5603622
5603622

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2R)-2-benzylpyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[(2R)-2-benzylpyrrolid…

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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) 2.21 9.34 -57.74 0 4 -1 60 272.324 4 ↓
Lo Low (pH 4.5-6) 2.21 7.92 -15.5 1 4 0 58 273.332 4 ↓

Analogs

3210623
3210623
5603622
5603622

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(2S)-2-benzylpyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[(2S)-2-benzylpyrrolid…

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) 2.21 9.34 -51.21 0 4 -1 60 272.324 4 ↓
Lo Low (pH 4.5-6) 2.21 7.35 -10.49 1 4 0 58 273.332 4 ↓

Analogs

3210623
3210623
5603622
5603622

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(2R)-2-benzylpyrrolidine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[(2R)-2-benzylpyrrolid…

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) 2.21 9.37 -51.54 0 4 -1 60 272.324 4 ↓
Lo Low (pH 4.5-6) 2.21 7.37 -10.7 1 4 0 58 273.332 4 ↓

Parameters Provided:

ring.id = 181778
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 = 181778 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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