UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 1-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octane 1-(pyrrolidin-1-ylmethyl)-6-azas…

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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) 1.26 6.8 -90.95 3 2 2 21 196.338 2 ↓

Analogs

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Popular Name: 1-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octane 1-(pyrrolidin-1-ylmethyl)-6-azas…

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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) 1.26 6.82 -85.85 3 2 2 21 196.338 2 ↓

Analogs

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Popular Name: (2R)-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-6-azaspiro[2.5]octane (2R)-2-[[(2R)-2-methylpyrrolidin…

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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) 1.59 7.38 -90.65 3 2 2 21 210.365 2 ↓

Analogs

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Popular Name: (2R)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-6-azaspiro[2.5]octane (2R)-2-[[(2S)-2-methylpyrrolidin…

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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) 1.59 7.36 -89.79 3 2 2 21 210.365 2 ↓

Analogs

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Popular Name: (2R)-2-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]-6-azaspiro[2.5]octane (2R)-2-[[(2R)-2-ethylpyrrolidin-…

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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) 2.13 8.15 -90.23 3 2 2 21 224.392 3 ↓

Analogs

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Popular Name: (2R)-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]-6-azaspiro[2.5]octane (2R)-2-[[(2S)-2-ethylpyrrolidin-…

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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) 2.13 8.28 -84.77 3 2 2 21 224.392 3 ↓

Analogs

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Popular Name: (2R)-2-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-6-azaspiro[2.5]octane (2R)-2-[[(3R)-3-methylpyrrolidin…

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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) 1.74 7.33 -92.06 3 2 2 21 210.365 2 ↓

Analogs

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Popular Name: (2R)-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-6-azaspiro[2.5]octane (2R)-2-[[(3S)-3-methylpyrrolidin…

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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) 1.74 7.35 -92.41 3 2 2 21 210.365 2 ↓

Analogs

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Popular Name: (2R)-2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-azaspiro[2.5]octane (2R)-2-[(2,2-dimethylpyrrolidin-…

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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) 2.07 7.52 -89.83 3 2 2 21 224.392 2 ↓

Analogs

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Popular Name: (2S)-2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-azaspiro[2.5]octane (2S)-2-[(2,2-dimethylpyrrolidin-…

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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) 2.07 7.64 -83.99 3 2 2 21 224.392 2 ↓

Parameters Provided:

ring.id = 459424
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 = 459424 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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