UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[[(1S)-6-azaspiro[2.5]octan-1-yl]methyl]morpholine 4-[[(1S)-6-azaspiro[2.5]octan-1-…

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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) 0.71 2.86 -39.87 2 3 1 29 211.329 2 ↓
Mid Mid (pH 6-8) 0.71 5.14 -89.9 3 3 2 30 212.337 2 ↓

Analogs

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Popular Name: 4-[[(1R)-6-azaspiro[2.5]octan-1-yl]methyl]morpholine 4-[[(1R)-6-azaspiro[2.5]octan-1-…

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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) 0.71 2.82 -39.89 2 3 1 29 211.329 2 ↓
Mid Mid (pH 6-8) 0.71 5.11 -89.87 3 3 2 30 212.337 2 ↓

Analogs

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Popular Name: (2R)-4-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-morpholine (2R)-4-[[(2R)-6-azaspiro[2.5]oct…

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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) 1.07 3.51 -40.37 2 3 1 29 225.356 2 ↓
Mid Mid (pH 6-8) 1.07 5.79 -96 3 3 2 30 226.364 2 ↓

Analogs

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Popular Name: (2S)-4-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-morpholine (2S)-4-[[(2R)-6-azaspiro[2.5]oct…

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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) 1.07 3.6 -39.94 2 3 1 29 225.356 2 ↓
Mid Mid (pH 6-8) 1.07 5.9 -90.67 3 3 2 30 226.364 2 ↓

Analogs

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Popular Name: (3R)-4-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-3-methyl-morpholine (3R)-4-[[(2R)-6-azaspiro[2.5]oct…

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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) 1.04 3.43 -39.93 2 3 1 29 225.356 2 ↓
Mid Mid (pH 6-8) 1.04 5.64 -88.15 3 3 2 30 226.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-3-methyl-morpholine (3S)-4-[[(2R)-6-azaspiro[2.5]oct…

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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) 1.04 3.39 -40.72 2 3 1 29 225.356 2 ↓
Mid Mid (pH 6-8) 1.04 5.6 -93.43 3 3 2 30 226.364 2 ↓

Parameters Provided:

ring.id = 459426
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 = 459426 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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