UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

30562278
30562278
11283553
11283553
10928209
10928209
11235840
11235840

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Popular Name: 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-methylsulfanylphenyl)-acetamide 2-(8-ethyl-2,4-dioxo-1,3-diazasp…

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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) 3.21 -2.33 -15.81 2 6 0 79 375.494 5 ↓

Analogs

36752361
36752361

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Popular Name: 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-phenyl-acetamide 2-(8-ethyl-2,4-dioxo-1,3-diazasp…

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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) 2.66 7.86 -15.39 1 6 0 70 343.427 4 ↓

Analogs

39544511
39544511
36714675
36714675
4308191
4308191

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Popular Name: 2-(4-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-(3-methylsulfanylphenyl)acetamide 2-(4-methyl-1,3-dioxo-2,4-diazas…

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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) 2.98 7.81 -18.08 1 6 0 70 361.467 4 ↓

Analogs

36714489
36714489
3505304
3505304
15657658
15657658

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Popular Name: N-(3-ethylphenyl)-2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide N-(3-ethylphenyl)-2-(8-methyl-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) 2.99 7.13 -16.77 2 6 0 79 343.427 4 ↓

Analogs

12903207
12903207
11235799
11235799
28889114
28889114
28889097
28889097

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Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide N-(4-chloro-2,5-dimethoxy-phenyl…

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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) 2.74 5.13 -13.72 2 8 0 97 409.87 5 ↓

Analogs

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Popular Name: N-butyl-2-[(5R,6S)-6-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]-N-phenyl-acetamide N-butyl-2-[(5R,6S)-6-methyl-1,3-…

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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) 3.88 9.99 -13.1 1 6 0 70 371.481 6 ↓

Analogs

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Popular Name: N-butyl-2-[(5S,6S)-6-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]-N-phenyl-acetamide N-butyl-2-[(5S,6S)-6-methyl-1,3-…

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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) 3.88 9.66 -16.31 1 6 0 70 371.481 6 ↓

Analogs

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Popular Name: N-butyl-2-[(5R,6R)-6-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]-N-phenyl-acetamide N-butyl-2-[(5R,6R)-6-methyl-1,3-…

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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) 3.88 9.66 -16.35 1 6 0 70 371.481 6 ↓

Analogs

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Popular Name: N-butyl-2-[(5S,6R)-6-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]-N-phenyl-acetamide N-butyl-2-[(5S,6R)-6-methyl-1,3-…

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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) 3.88 9.98 -15 1 6 0 70 371.481 6 ↓

Analogs

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Popular Name: N-(3,4-dipropoxyphenyl)-2-[(5R,9S)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetamide N-(3,4-dipropoxyphenyl)-2-[(5R,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) 4.39 9.69 -18.99 2 8 0 97 459.587 9 ↓

Analogs

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Popular Name: N-(3,4-dipropoxyphenyl)-2-[(5S,9S)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetamide N-(3,4-dipropoxyphenyl)-2-[(5S,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) 4.39 9.14 -19.99 2 8 0 97 459.587 9 ↓

Analogs

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Popular Name: N-(3,4-dipropoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetamide N-(3,4-dipropoxyphenyl)-2-[(5R,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) 4.39 9.2 -19.81 2 8 0 97 459.587 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dipropoxyphenyl)-2-[(5S,9R)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetamide N-(3,4-dipropoxyphenyl)-2-[(5S,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) 4.39 9.69 -19.02 2 8 0 97 459.587 9 ↓

Analogs

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Popular Name: 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]a 2-(8-tert-butyl-2,4-dioxo-1,3-di…

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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) 4.73 9.33 -17.22 2 6 0 79 471.545 7 ↓

Analogs

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Popular Name: N-(3-iodo-4-methyl-phenyl)-2-[(5R,9R)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetam N-(3-iodo-4-methyl-phenyl)-2-[(5…

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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) 4.44 8.26 -18.9 2 6 0 79 483.35 3 ↓

Analogs

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Popular Name: N-(3-iodo-4-methyl-phenyl)-2-[(5R,9S)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetam N-(3-iodo-4-methyl-phenyl)-2-[(5…

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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) 4.44 8.76 -18.16 2 6 0 79 483.35 3 ↓

Analogs

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Popular Name: N-(3-iodo-4-methyl-phenyl)-2-[(5S,9R)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetam N-(3-iodo-4-methyl-phenyl)-2-[(5…

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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) 4.44 8.74 -18.18 2 6 0 79 483.35 3 ↓

Analogs

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Popular Name: N-(3-iodo-4-methyl-phenyl)-2-[(5S,9S)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetam N-(3-iodo-4-methyl-phenyl)-2-[(5…

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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) 4.44 8.19 -19.09 2 6 0 79 483.35 3 ↓

Analogs

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Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-y N-[3,5-bis(trifluoromethyl)pheny…

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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) 4.70 8.63 -14.36 2 6 0 79 479.421 5 ↓

Analogs

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Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-y N-[3,5-bis(trifluoromethyl)pheny…

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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) 4.70 9.34 -13.54 2 6 0 79 479.421 5 ↓

Analogs

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Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-y N-[3,5-bis(trifluoromethyl)pheny…

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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) 4.70 9.34 -13.71 2 6 0 79 479.421 5 ↓

Analogs

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Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-y N-[3,5-bis(trifluoromethyl)pheny…

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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) 4.70 8.62 -13.87 2 6 0 79 479.421 5 ↓

Analogs

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Popular Name: N-allyl-N-phenyl-2-[(5S,7R)-7,9,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-allyl-N-phenyl-2-[(5S,7R)-7,9,…

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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) 3.50 10.47 -13.8 1 6 0 70 383.492 5 ↓

Analogs

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Popular Name: N-allyl-N-phenyl-2-[(5S,7S)-7,9,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-allyl-N-phenyl-2-[(5S,7S)-7,9,…

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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) 3.50 9.73 -13.84 1 6 0 70 383.492 5 ↓

Analogs

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Popular Name: N-allyl-N-phenyl-2-[(5R,7R)-7,9,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-allyl-N-phenyl-2-[(5R,7R)-7,9,…

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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) 3.50 9.72 -14.42 1 6 0 70 383.492 5 ↓

Analogs

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Popular Name: N-allyl-N-phenyl-2-[(5R,7S)-7,9,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-allyl-N-phenyl-2-[(5R,7S)-7,9,…

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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) 3.50 10.49 -13.36 1 6 0 70 383.492 5 ↓

Analogs

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Popular Name: N-allyl-2-(4-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-phenyl-acetamide N-allyl-2-(4-methyl-1,3-dioxo-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) 3.09 9.96 -15.46 0 6 0 61 355.438 5 ↓

Analogs

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Popular Name: N-methyl-2-[[2-[(5S,10R)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzamide N-methyl-2-[[2-[(5S,10R)-10-meth…

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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) 1.71 4.77 -16.5 3 8 0 108 372.425 4 ↓

Analogs

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Popular Name: N-methyl-2-[[2-[(5S,10S)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzamide N-methyl-2-[[2-[(5S,10S)-10-meth…

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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) 1.71 4.36 -17.15 3 8 0 108 372.425 4 ↓

Analogs

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Popular Name: N-methyl-2-[[2-[(5R,10R)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzamide N-methyl-2-[[2-[(5R,10R)-10-meth…

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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) 1.71 4.31 -17.28 3 8 0 108 372.425 4 ↓

Analogs

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Popular Name: N-methyl-2-[[2-[(5R,10S)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzamide N-methyl-2-[[2-[(5R,10S)-10-meth…

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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) 1.71 4.72 -16.62 3 8 0 108 372.425 4 ↓

Analogs

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Popular Name: 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-methyl-benzamide 2-[[2-(8-ethyl-2,4-dioxo-1,3-dia…

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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) 1.92 4.86 -17.17 3 8 0 108 386.452 5 ↓

Analogs

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Popular Name: N-methyl-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzamide N-methyl-2-[[2-(8-methyl-2,4-dio…

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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) 1.24 4.56 -16.41 3 8 0 108 372.425 4 ↓

Analogs

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Popular Name: N-(5-acetamido-2,4-difluoro-phenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide N-(5-acetamido-2,4-difluoro-phen…

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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) 2.18 5.3 -19.21 3 8 0 108 422.432 5 ↓

Analogs

39547730
39547730
39547731
39547731
39547732
39547732
39547733
39547733

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Popular Name: N-(3-ethynylphenyl)-2-(4-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide N-(3-ethynylphenyl)-2-(4-methyl-…

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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) 2.31 7.98 -18.55 1 6 0 70 339.395 3 ↓

Analogs

4308034
4308034
6654485
6654485
6654487
6654487
36714566
36714566
3505314
3505314

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Popular Name: N-(4-chloro-2-methyl-phenyl)-2-(1,3-diketo-8-methyl-2,4-diazaspiro[4.5]decan-2-yl)acetamide N-(4-chloro-2-methyl-phenyl)-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) 3.15 -1.31 -13.16 2 6 0 78 363.845 3 ↓

Analogs

4513267
4513267
13042248
13042248
3505320
3505320

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Popular Name: 2-(1,3-diketo-8-methyl-2,4-diazaspiro[4.5]decan-2-yl)-N-(5-fluoro-2-methyl-phenyl)acetamide 2-(1,3-diketo-8-methyl-2,4-diaza…

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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 -0.43 -15.97 2 6 0 78 347.39 3 ↓

Analogs

3505345
3505345

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Popular Name: 2-(1,3-diketo-8-methyl-2,4-diazaspiro[4.5]decan-2-yl)-N-(2-methyl-3-nitro-phenyl)acetamide 2-(1,3-diketo-8-methyl-2,4-diaza…

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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) 2.41 -0.75 -14.19 2 9 0 124 374.397 4 ↓

Analogs

4308059
4308059
27826264
27826264
39570347
39570347
3409281
3409281
3505348
3505348

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Popular Name: N-[2-(difluoromethoxy)phenyl]-2-(2,4-diketo-8-methyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide N-[2-(difluoromethoxy)phenyl]-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) 2.66 -0.58 -14.91 2 7 0 87 381.379 5 ↓

Analogs

12987854
12987854
13071608
13071608
3505362
3505362

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Popular Name: N-(2,6-diisopropylphenyl)-2-(2,4-diketo-8-methyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide N-(2,6-diisopropylphenyl)-2-(2,4…

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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) 3.14 0.24 -12.45 2 6 0 78 399.535 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(1,3-diketo-8-methyl-2,4-diazaspiro[4.5]decan-2-yl)acetyl]amino]benzene-1,3-dicarboxylic-acid- 5-[[2-(1,3-diketo-8-methyl-2,4-d…

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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) 3.12 9.02 -18.68 2 10 0 131 459.499 9 ↓

Analogs

4513357
4513357

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Popular Name: N-(2-acetylphenyl)-2-(2,4-diketo-8-methyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide N-(2-acetylphenyl)-2-(2,4-diketo…

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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) 1.95 -0.81 -15.01 2 7 0 95 357.41 4 ↓

Analogs

5341982
5341982
12984348
12984348
3376920
3376920
3458030
3458030

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Popular Name: 2-(1,3-diketo-8-methyl-2,4-diazaspiro[4.5]decan-2-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide 2-(1,3-diketo-8-methyl-2,4-diaza…

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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) 2.42 -0.65 -12.58 2 6 0 78 357.454 4 ↓

Analogs

5342129
5342129
5342134
5342134
6397245
6397245
13068849
13068849
36714654
36714654

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Popular Name: N-(4-bromophenyl)-2-(2,4-diketo-8-methyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide N-(4-bromophenyl)-2-(2,4-diketo-…

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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) 2.90 -2.48 -13.45 2 6 0 78 394.269 3 ↓

Analogs

5292165
5292165

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Popular Name: 2-(2,4-diketo-8-methyl-1,3-diazaspiro[4.5]decan-3-yl)-N-isopropyl-N-phenyl-acetamide 2-(2,4-diketo-8-methyl-1,3-diaza…

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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) 2.64 0.24 -13.79 1 6 0 69 357.454 4 ↓

Analogs

4513408
4513408
36708718
36708718
3505460
3505460

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Popular Name: N-(3-acetylphenyl)-2-(2,4-diketo-8-methyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide N-(3-acetylphenyl)-2-(2,4-diketo…

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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) 1.97 -1.24 -23 2 7 0 95 357.41 4 ↓

Analogs

4308134
4308134
6670703
6670703
6670726
6670726
6670897
6670897
6675792
6675792

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-(1,3-diketo-8-methyl-2,4-diazaspiro[4.5]decan-2-yl)acetamide N-(3-chloro-2-methyl-phenyl)-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) 3.13 -1.3 -12.61 2 6 0 78 363.845 3 ↓

Analogs

4513415
4513415
12976250
12976250
36716794
36716794
39544429
39544429
3505472
3505472

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Popular Name: 2-(1,3-diketo-8-methyl-2,4-diazaspiro[4.5]decan-2-yl)-N-(2,3-dimethylphenyl)acetamide 2-(1,3-diketo-8-methyl-2,4-diaza…

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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) 2.90 -0.94 -14.03 2 6 0 78 343.427 3 ↓

Analogs

4307928
4307928
4308135
4308135
4308139
4308139
6906415
6906415
8658489
8658489

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Popular Name: 2-(2,4-diketo-8-methyl-1,3-diazaspiro[4.5]decan-3-yl)-N-p-cumenyl-acetamide 2-(2,4-diketo-8-methyl-1,3-diaza…

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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) 3.61 -0.91 -13.71 2 6 0 78 357.454 4 ↓

Analogs

4513435
4513435
36708764
36708764
3505485
3505485

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-diketo-8-methyl-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide 2-(2,4-diketo-8-methyl-1,3-diaza…

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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) 2.13 -1.58 -16.63 2 8 0 96 375.425 5 ↓

Parameters Provided:

ring.id = 48563
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 = 48563 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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