UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-[cyclopropyl(ethyl)amino]cyclopentanone (2R)-2-[cyclopropyl(ethyl)amino]…

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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) 1.15 6.17 -31.76 1 2 1 22 168.26 3 ↓
Hi High (pH 8-9.5) 1.15 4.07 -4.37 0 2 0 20 167.252 3 ↓

Analogs

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Popular Name: (2S)-2-[cyclopropyl(ethyl)amino]cyclopentanone (2S)-2-[cyclopropyl(ethyl)amino]…

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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) 1.15 6.25 -30.26 1 2 1 22 168.26 3 ↓
Hi High (pH 8-9.5) 1.15 3.77 -4.5 0 2 0 20 167.252 3 ↓

Analogs

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Popular Name: (2R)-2-[cyclopropyl(methyl)amino]cyclopentanone (2R)-2-[cyclopropyl(methyl)amino…

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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) 0.77 5.83 -32.73 1 2 1 22 154.233 2 ↓
Hi High (pH 8-9.5) 0.77 3.6 -4.62 0 2 0 20 153.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[cyclopropyl(methyl)amino]cyclopentanone (2S)-2-[cyclopropyl(methyl)amino…

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) 0.77 5.58 -31.97 1 2 1 22 154.233 2 ↓
Hi High (pH 8-9.5) 0.77 3.51 -4.73 0 2 0 20 153.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[cyclopropyl(propyl)amino]cyclopentanone (2R)-2-[cyclopropyl(propyl)amino…

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) 1.65 7.09 -30.56 1 2 1 22 182.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[cyclopropyl(propyl)amino]cyclopentanone (2S)-2-[cyclopropyl(propyl)amino…

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) 1.65 6.98 -30.77 1 2 1 22 182.287 4 ↓

Parameters Provided:

ring.id = 568012
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 = 568012 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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