UCSF
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Analogs

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Popular Name: (3-chloro-4-hydroxy-phenyl)-[(5R)-3-methyl-3,7-diazaspiro[4.5]decan-7-yl]methanone (3-chloro-4-hydroxy-phenyl)-[(5R…

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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) 1.93 6.29 -36.78 2 4 1 45 309.817 1 ↓
Hi High (pH 8-9.5) 1.93 7.06 -58 1 4 0 48 308.809 1 ↓

Analogs

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Popular Name: (3-chloro-4-hydroxy-phenyl)-[(5S)-3-methyl-3,7-diazaspiro[4.5]decan-7-yl]methanone (3-chloro-4-hydroxy-phenyl)-[(5S…

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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) 1.93 6.11 -41.72 2 4 1 45 309.817 1 ↓
Hi High (pH 8-9.5) 1.93 6.88 -65.55 1 4 0 48 308.809 1 ↓

Analogs

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Popular Name: [2-(allylamino)phenyl]-[(5R)-3-methyl-3,7-diazaspiro[4.5]decan-7-yl]methanone [2-(allylamino)phenyl]-[(5R)-3-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) 1.99 8.94 -34.75 2 4 1 37 314.453 4 ↓

Analogs

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Popular Name: [2-(allylamino)phenyl]-[(5S)-3-methyl-3,7-diazaspiro[4.5]decan-7-yl]methanone [2-(allylamino)phenyl]-[(5S)-3-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) 1.99 8.75 -39.11 2 4 1 37 314.453 4 ↓

Analogs

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Popular Name: [(5R)-2,9-diazaspiro[4.5]decan-9-yl]-[5-methyl-2-(methylamino)phenyl]methanone [(5R)-2,9-diazaspiro[4.5]decan-9…

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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) 1.53 5.87 -43.34 3 4 1 49 288.415 2 ↓

Analogs

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Popular Name: [(5S)-2,9-diazaspiro[4.5]decan-9-yl]-[5-methyl-2-(methylamino)phenyl]methanone [(5S)-2,9-diazaspiro[4.5]decan-9…

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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) 1.53 5.84 -40.58 3 4 1 49 288.415 2 ↓

Analogs

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Popular Name: [(5R)-2,9-diazaspiro[4.5]decan-9-yl]-[2-(2-methylallyloxy)phenyl]methanone [(5R)-2,9-diazaspiro[4.5]decan-9…

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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 8.02 -44.46 2 4 1 46 315.437 4 ↓

Analogs

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Popular Name: [(5S)-2,9-diazaspiro[4.5]decan-9-yl]-[2-(2-methylallyloxy)phenyl]methanone [(5S)-2,9-diazaspiro[4.5]decan-9…

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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 7.99 -40.37 2 4 1 46 315.437 4 ↓

Analogs

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Popular Name: m-tolyl-[(5R)-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[4.5]decan-9-yl]methanone m-tolyl-[(5R)-2-(3,3,3-trifluoro…

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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) 3.16 10.87 -52.53 1 3 1 25 355.424 4 ↓

Analogs

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Popular Name: m-tolyl-[(5S)-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[4.5]decan-9-yl]methanone m-tolyl-[(5S)-2-(3,3,3-trifluoro…

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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) 3.16 11.08 -47.2 1 3 1 25 355.424 4 ↓

Parameters Provided:

ring.id = 523710
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 = 523710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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