UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-tert-butylphenyl)methyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[(4-tert-butylphenyl)methyl]-8…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.73 6.51 -7.04 1 5 0 59 316.401 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-fluorophenyl)methyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[(3-fluorophenyl)methyl]-8-oxa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.16 4.25 -8.2 1 5 0 59 278.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2R)-2-ethyl-1-piperidyl]-2-oxo-ethyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[2-[(2R)-2-ethyl-1-piperidyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.74 4.21 -12.78 1 7 0 79 323.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[2-[(2S)-2-ethyl-1-piperidyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.74 4.24 -12.73 1 7 0 79 323.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[2-[(3R)-3-methyl-1-piperidyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.12 3.61 -13.82 1 7 0 79 309.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[2-[(3S)-3-methyl-1-piperidyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.12 3.61 -13.91 1 7 0 79 309.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[2-[(2S,6R)-2,6-dimethyl-1-pip…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.54 3.7 -12.96 1 7 0 79 323.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[2-[(2S,6S)-2,6-dimethyl-1-pip…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.54 4.15 -12.42 1 7 0 79 323.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[2-[(2R,6R)-2,6-dimethyl-1-pip…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.54 4.18 -12.46 1 7 0 79 323.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxo-8-oxa-2,4-diazaspiro[4.5]decan-2-yl)-N-(3-fluorophenyl)acetamide 2-(1,3-dioxo-8-oxa-2,4-diazaspir…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.93 2.86 -13.79 2 7 0 88 321.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-nitrophenyl)methyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[(2-nitrophenyl)methyl]-8-oxa-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.93 5.13 -12.84 1 8 0 104 305.29 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-(3-fluorophenyl)-2-hydroxy-ethyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[(2S)-2-(3-fluorophenyl)-2-hyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.57 1.86 -8.85 2 6 0 79 308.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-(3-fluorophenyl)-2-hydroxy-ethyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[(2R)-2-(3-fluorophenyl)-2-hyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.57 1.9 -8.78 2 6 0 79 308.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropylmethyl(ethyl)amino]methyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[[cyclopropylmethyl(ethyl)amin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.88 2.62 -6.91 1 6 0 62 281.356 5 ↓
Mid Mid (pH 6-8) 0.88 4.98 -33.51 2 6 1 63 282.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[allyl(cyclohexylmethyl)amino]methyl]-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-[[allyl(cyclohexylmethyl)amino…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.57 5.39 -6.16 1 6 0 62 335.448 6 ↓
Mid Mid (pH 6-8) 2.57 7.26 -34.11 2 6 1 63 336.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromoallyl)-8-oxa-2,4-diazaspiro[4.5]decane-1,3-dione 2-(2-bromoallyl)-8-oxa-2,4-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.73 2.26 -7.54 1 5 0 59 289.129 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-7-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5S,7R)-7-ethyl-8-oxa-1,3-diazas…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.24 -0.59 -7.06 2 5 0 67 198.222 1 ↓
Hi High (pH 8-9.5) 0.43 -3.23 -41.02 1 5 -1 74 197.214 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5S,7S)-7-ethyl-8-oxa-1,3-diazas…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.24 -0.89 -7.28 2 5 0 67 198.222 1 ↓
Hi High (pH 8-9.5) 0.43 -3.33 -40.23 1 5 -1 74 197.214 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-7-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5R,7R)-7-ethyl-8-oxa-1,3-diazas…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.24 -0.89 -7.26 2 5 0 67 198.222 1 ↓
Hi High (pH 8-9.5) 0.43 -3.34 -40.21 1 5 -1 74 197.214 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-7-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5R,7S)-7-ethyl-8-oxa-1,3-diazas…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.24 -0.58 -7.06 2 5 0 67 198.222 1 ↓
Hi High (pH 8-9.5) 0.43 -3.22 -41.02 1 5 -1 74 197.214 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5S,7R)-7-propyl-8-oxa-1,3-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.80 0.19 -7.03 2 5 0 67 212.249 2 ↓
Hi High (pH 8-9.5) 0.98 -2.45 -40.96 1 5 -1 74 211.241 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5S,7S)-7-propyl-8-oxa-1,3-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.80 -0.12 -7.18 2 5 0 67 212.249 2 ↓
Hi High (pH 8-9.5) 0.98 -2.56 -40.22 1 5 -1 74 211.241 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5R,7R)-7-propyl-8-oxa-1,3-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.80 -0.11 -7.17 2 5 0 67 212.249 2 ↓
Hi High (pH 8-9.5) 0.98 -2.56 -40.22 1 5 -1 74 211.241 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5R,7S)-7-propyl-8-oxa-1,3-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.80 0.2 -7.01 2 5 0 67 212.249 2 ↓
Hi High (pH 8-9.5) 0.98 -2.45 -40.96 1 5 -1 74 211.241 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-isopropyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5S,7S)-7-isopropyl-8-oxa-1,3-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.48 -0.07 -6.84 2 5 0 67 212.249 1 ↓
Hi High (pH 8-9.5) 0.67 -2.72 -41.14 1 5 -1 74 211.241 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-7-isopropyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5S,7R)-7-isopropyl-8-oxa-1,3-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.48 -0.28 -7.09 2 5 0 67 212.249 1 ↓
Hi High (pH 8-9.5) 0.67 -2.73 -40.38 1 5 -1 74 211.241 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-7-isopropyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5R,7S)-7-isopropyl-8-oxa-1,3-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.48 -0.36 -7.11 2 5 0 67 212.249 1 ↓
Hi High (pH 8-9.5) 0.67 -2.8 -40.47 1 5 -1 74 211.241 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-7-isopropyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5R,7R)-7-isopropyl-8-oxa-1,3-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.48 0.02 -6.9 2 5 0 67 212.249 1 ↓
Hi High (pH 8-9.5) 0.67 -2.63 -41.19 1 5 -1 74 211.241 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5S,7R)-7-ethyl-7-methyl-8-oxa-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.69 0.2 -6.71 2 5 0 67 212.249 1 ↓
Hi High (pH 8-9.5) 0.87 -2.46 -41.69 1 5 -1 74 211.241 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5S,7S)-7-ethyl-7-methyl-8-oxa-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.69 -0.37 -7 2 5 0 67 212.249 1 ↓
Hi High (pH 8-9.5) 0.87 -2.75 -39.77 1 5 -1 74 211.241 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5R,7R)-7-ethyl-7-methyl-8-oxa-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.69 -0.39 -7.02 2 5 0 67 212.249 1 ↓
Hi High (pH 8-9.5) 0.87 -2.78 -39.74 1 5 -1 74 211.241 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (5R,7S)-7-ethyl-7-methyl-8-oxa-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.69 0.18 -6.74 2 5 0 67 212.249 1 ↓
Hi High (pH 8-9.5) 0.87 -2.46 -41.71 1 5 -1 74 211.241 1 ↓

Parameters Provided:

ring.id = 164223
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 = 164223 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=164223&filter.purchasability=annotated

Embed Link to Results