UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11813253
11813253

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Popular Name: 2-methyl-N-[[(3S)-8-(3-methylbutanoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-5-propyl-pyrazole-3-c 2-methyl-N-[[(3S)-8-(3-methylbut…

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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) 2.95 -1.51 -12.73 1 7 0 76 404.555 7 ↓

Analogs

11813250
11813250

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Popular Name: 2-methyl-N-[[(3R)-8-(3-methylbutanoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-5-propyl-pyrazole-3-c 2-methyl-N-[[(3R)-8-(3-methylbut…

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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) 2.95 -1.38 -14.8 1 7 0 76 404.555 7 ↓

Analogs

12039043
12039043

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Popular Name: 2,5-dimethyl-N-[[(3S)-8-[(E)-4-methylpent-2-enyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrazole-3- 2,5-dimethyl-N-[[(3S)-8-[(E)-4-m…

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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) 2.06 -0.52 -43.67 2 6 1 61 375.537 6 ↓

Analogs

12039039
12039039

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Popular Name: 2,5-dimethyl-N-[[(3R)-8-[(E)-4-methylpent-2-enyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrazole-3- 2,5-dimethyl-N-[[(3R)-8-[(E)-4-m…

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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) 2.06 -0.52 -45.49 2 6 1 61 375.537 6 ↓

Analogs

12041668
12041668
12041670
12041670
12041674
12041674
11784407
11784407
11784408
11784408

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Popular Name: 2,5-dimethyl-N-[[(2S)-8-[(2R)-2-methylbutyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carbo 2,5-dimethyl-N-[[(2S)-8-[(2R)-2-…

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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) 2.53 -0.57 -42.51 2 6 1 61 363.526 6 ↓

Analogs

12041670
12041670
12041674
12041674
12041663
12041663
11784407
11784407

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Popular Name: 2,5-dimethyl-N-[[(2S)-8-[(2S)-2-methylbutyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carbo 2,5-dimethyl-N-[[(2S)-8-[(2S)-2-…

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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) 2.53 -0.53 -41.53 2 6 1 61 363.526 6 ↓

Analogs

12041674
12041674
12041663
12041663
12041668
12041668
11784407
11784407

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[[(2R)-8-[(2R)-2-methylbutyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carbo 2,5-dimethyl-N-[[(2R)-8-[(2R)-2-…

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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) 2.53 -0.64 -44.56 2 6 1 61 363.526 6 ↓

Analogs

12041663
12041663
12041668
12041668
12041670
12041670

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Popular Name: 2,5-dimethyl-N-[[(2R)-8-[(2S)-2-methylbutyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carbo 2,5-dimethyl-N-[[(2R)-8-[(2S)-2-…

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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) 2.53 -0.47 -41.09 2 6 1 61 363.526 6 ↓

Analogs

12042431
12042431

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Popular Name: 2-methyl-N-[[(2S)-8-propyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide 2-methyl-N-[[(2S)-8-propyl-1-oxa…

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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) 1.56 -1.34 -42.6 2 6 1 61 321.445 5 ↓

Analogs

12042429
12042429

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Popular Name: 2-methyl-N-[[(2R)-8-propyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide 2-methyl-N-[[(2R)-8-propyl-1-oxa…

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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) 1.56 -1.39 -43.94 2 6 1 61 321.445 5 ↓

Parameters Provided:

ring.id = 46381
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 = 46381 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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