UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]cyclopentanone (2S)-2-[[[(1S)-1-cyclopropylethy…

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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) 1.99 7.72 -31.87 1 2 1 22 196.314 4 ↓

Analogs

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Popular Name: (2S)-2-[[[(1R)-1-cyclopropylethyl]-methyl-amino]methyl]cyclopentanone (2S)-2-[[[(1R)-1-cyclopropylethy…

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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) 1.99 7.93 -31.55 1 2 1 22 196.314 4 ↓

Analogs

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

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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) 1.66 7.43 -38.35 1 2 1 22 182.287 4 ↓

Analogs

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

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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) 1.66 7.62 -32.74 1 2 1 22 182.287 4 ↓

Analogs

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Popular Name: (2S)-2-[[cyclopropylmethyl(propyl)amino]methyl]cyclopentanone (2S)-2-[[cyclopropylmethyl(propy…

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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) 2.54 9.03 -32.1 1 2 1 22 210.341 6 ↓

Analogs

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Popular Name: (2R)-2-[[cyclopropylmethyl(propyl)amino]methyl]cyclopentanone (2R)-2-[[cyclopropylmethyl(propy…

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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) 2.54 8.55 -38.24 1 2 1 22 210.341 6 ↓

Analogs

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Popular Name: (2S)-2-[[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)amino]methyl]cyclopentanone (2S)-2-[[[(1S)-1-cyclopropylethy…

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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) 1.97 7.73 -28.61 1 3 1 31 240.367 7 ↓
Hi High (pH 8-9.5) 1.97 6.3 -5.44 0 3 0 30 239.359 7 ↓

Analogs

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Popular Name: (2S)-2-[[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)amino]methyl]cyclopentanone (2S)-2-[[[(1R)-1-cyclopropylethy…

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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) 1.97 7.67 -31.36 1 3 1 31 240.367 7 ↓
Hi High (pH 8-9.5) 1.97 6.35 -5.5 0 3 0 30 239.359 7 ↓

Analogs

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Popular Name: (2S)-2-[[cyclopropylmethyl(isopropyl)amino]methyl]cyclopentanone (2S)-2-[[cyclopropylmethyl(isopr…

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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) 2.33 8.57 -29.8 1 2 1 22 210.341 5 ↓

Analogs

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Popular Name: (2R)-2-[[cyclopropylmethyl(isopropyl)amino]methyl]cyclopentanone (2R)-2-[[cyclopropylmethyl(isopr…

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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) 2.33 8.36 -30.48 1 2 1 22 210.341 5 ↓

Analogs

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

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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) 2.04 8.29 -31.42 1 2 1 22 196.314 5 ↓

Analogs

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

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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) 2.04 8.04 -30.93 1 2 1 22 196.314 5 ↓

Parameters Provided:

ring.id = 116239
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 = 116239 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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