UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-amino-1-isopropyl-pyrrol-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone (4-amino-1-isopropyl-pyrrol-2-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) 2.63 7.28 -7.17 2 4 0 51 289.423 2 ↓

Analogs

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Popular Name: (4-amino-1H-pyrrol-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone (4-amino-1H-pyrrol-2-yl)-(8-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) 1.83 4.73 -9.4 3 4 0 62 247.342 1 ↓

Analogs

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Popular Name: (4-amino-1-ethyl-pyrrol-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone (4-amino-1-ethyl-pyrrol-2-yl)-(8…

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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) 2.27 6.71 -6.99 2 4 0 51 275.396 2 ↓

Analogs

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Popular Name: (4-amino-1-methyl-pyrrol-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone (4-amino-1-methyl-pyrrol-2-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) 1.89 5.84 -7.32 2 4 0 51 261.369 1 ↓

Analogs

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Popular Name: (4-amino-1-propyl-pyrrol-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone (4-amino-1-propyl-pyrrol-2-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) 2.77 7.46 -7.01 2 4 0 51 289.423 3 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methyl-pyrrol-2-yl)methanone 8-azaspiro[4.5]decan-8-yl-(4-bro…

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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) 3.22 8.6 -6.15 0 3 0 25 325.25 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-ethyl-pyrrol-2-yl)methanone 8-azaspiro[4.5]decan-8-yl-(4-bro…

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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) 3.60 9.48 -5.9 0 3 0 25 339.277 2 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(4-bromo-1H-pyrrol-2-yl)methanone 8-azaspiro[4.5]decan-8-yl-(4-bro…

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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) 3.15 7.49 -9.33 1 3 0 36 311.223 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-propyl-pyrrol-2-yl)methanone 8-azaspiro[4.5]decan-8-yl-(4-bro…

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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) 4.10 10.23 -5.82 0 3 0 25 353.304 3 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(4-bromo-1-isopropyl-pyrrol-2-yl)methanone 8-azaspiro[4.5]decan-8-yl-(4-bro…

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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) 3.96 10.04 -5.79 0 3 0 25 353.304 2 ↓

Parameters Provided:

ring.id = 317294
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 = 317294 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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