UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 2.19 7.76 -37.03 1 2 1 22 196.314 3 ↓

Analogs

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

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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) 2.19 7.74 -36.94 1 2 1 22 196.314 3 ↓

Analogs

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Popular Name: (2S)-2-[[cyclopentyl(ethyl)amino]methyl]cyclopentanone (2S)-2-[[cyclopentyl(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) 2.56 8.31 -29.97 1 2 1 22 210.341 4 ↓

Analogs

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

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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) 2.56 8.31 -29.9 1 2 1 22 210.341 4 ↓

Analogs

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Popular Name: (2S)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentanone (2S)-2-[[cyclopentyl(2-hydroxyet…

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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) 1.56 5.8 -31.65 2 3 1 42 226.34 5 ↓
Hi High (pH 8-9.5) 1.56 3.49 -6.89 1 3 0 41 225.332 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentanone (2R)-2-[[cyclopentyl(2-hydroxyet…

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) 1.56 5.35 -29.26 2 3 1 42 226.34 5 ↓
Hi High (pH 8-9.5) 1.56 3.44 -5.64 1 3 0 41 225.332 5 ↓

Parameters Provided:

ring.id = 115913
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 = 115913 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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