UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(8-azaspiro[4.5]decan-8-ylmethyl)furan-2-carboxylic 3-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 2.38 9.3 -41.26 1 4 0 58 263.337 3 ↓
Hi High (pH 8-9.5) 2.38 7.01 -51.46 0 4 -1 57 262.329 3 ↓

Analogs

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Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)-5-methyl-furan-2-carboxylic 4-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 2.61 10.2 -68.12 1 4 0 58 277.364 3 ↓
Hi High (pH 8-9.5) 2.61 7.92 -50.42 0 4 -1 57 276.356 3 ↓

Analogs

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Popular Name: 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-2-furyl]-N-methyl-methanamine 1-[3-(8-azaspiro[4.5]decan-8-ylm…

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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) 2.37 8.51 -108.2 3 3 2 34 264.413 4 ↓
Hi High (pH 8-9.5) 2.37 6.23 -37.88 2 3 1 33 263.405 4 ↓

Analogs

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Popular Name: N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)-2-furyl]methyl]ethanamine N-[[3-(8-azaspiro[4.5]decan-8-yl…

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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) 2.75 9.37 -108.56 3 3 2 34 278.44 5 ↓
Hi High (pH 8-9.5) 2.75 7.09 -36.67 2 3 1 33 277.432 5 ↓

Analogs

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Popular Name: N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[3-(8-azaspiro[4.5]decan-8-yl…

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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) 3.25 10.12 -110.49 3 3 2 34 292.467 6 ↓
Hi High (pH 8-9.5) 3.25 7.84 -37.51 2 3 1 33 291.459 6 ↓

Analogs

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Popular Name: N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[3-(8-azaspiro[4.5]decan-8-yl…

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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) 3.04 9.89 -106.35 3 3 2 34 292.467 5 ↓
Hi High (pH 8-9.5) 3.04 7.61 -34.94 2 3 1 33 291.459 5 ↓

Analogs

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Popular Name: [3-(8-azaspiro[4.5]decan-8-ylmethyl)-2-furyl]methanamine [3-(8-azaspiro[4.5]decan-8-ylmet…

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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) 2.00 6.64 -114.27 4 3 2 45 250.386 3 ↓
Hi High (pH 8-9.5) 2.00 4.36 -43.49 3 3 1 44 249.378 3 ↓

Analogs

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Popular Name: 1-[4-(8-azaspiro[4.5]decan-8-ylmethyl)-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-(8-azaspiro[4.5]decan-8-ylm…

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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) 2.59 9.37 -93.1 3 3 2 34 278.44 4 ↓
Hi High (pH 8-9.5) 2.59 7.09 -37.76 2 3 1 33 277.432 4 ↓

Analogs

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Popular Name: N-[[4-(8-azaspiro[4.5]decan-8-ylmethyl)-5-methyl-2-furyl]methyl]ethanamine N-[[4-(8-azaspiro[4.5]decan-8-yl…

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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) 2.97 10.23 -92.91 3 3 2 34 292.467 5 ↓
Hi High (pH 8-9.5) 2.97 7.94 -36.91 2 3 1 33 291.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(8-azaspiro[4.5]decan-8-ylmethyl)-5-methyl-2-furyl]methanamine [4-(8-azaspiro[4.5]decan-8-ylmet…

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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) 2.22 7.5 -98 4 3 2 45 264.413 3 ↓
Hi High (pH 8-9.5) 2.22 5.22 -43.29 3 3 1 44 263.405 3 ↓

Parameters Provided:

ring.id = 318461
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 = 318461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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