UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-bromophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(3-bromophenyl)methyl]-2,4,8-…

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) 1.25 4.8 -53.11 3 5 1 66 339.213 2 ↓
Hi High (pH 8-9.5) 1.25 3.48 -6.91 2 5 0 61 338.205 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(m-tolylmethyl)-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-(m-tolylmethyl)-2,4,8-triazasp…

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) 0.89 4.85 -52.63 3 5 1 66 274.344 2 ↓
Hi High (pH 8-9.5) 0.89 3.53 -6.98 2 5 0 61 273.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-bromo-2-fluoro-phenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(5-bromo-2-fluoro-phenyl)meth…

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) 1.37 4.8 -52.71 3 5 1 66 357.203 2 ↓
Hi High (pH 8-9.5) 1.37 3.48 -7.22 2 5 0 61 356.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-bromophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2-bromophenyl)methyl]-2,4,8-…

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) 1.23 4.61 -51.36 3 5 1 66 339.213 2 ↓
Hi High (pH 8-9.5) 1.23 3.28 -6.68 2 5 0 61 338.205 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-bromo-4-fluoro-phenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2-bromo-4-fluoro-phenyl)meth…

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) 1.37 5.19 -55.71 3 5 1 66 357.203 2 ↓
Hi High (pH 8-9.5) 1.37 3.87 -7.15 2 5 0 61 356.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-fluoro-phenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2-chloro-4-fluoro-phenyl)met…

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) 1.24 5.1 -55.55 3 5 1 66 312.752 2 ↓
Hi High (pH 8-9.5) 1.24 3.77 -7.14 2 5 0 61 311.744 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methoxyphenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(3-methoxyphenyl)methyl]-2,4,…

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) 0.50 3.49 -54.66 3 6 1 75 290.343 3 ↓
Hi High (pH 8-9.5) 0.50 2.16 -8.88 2 6 0 71 289.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-bromophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(4-bromophenyl)methyl]-2,4,8-…

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) 1.28 4.81 -52.45 3 5 1 66 339.213 2 ↓
Hi High (pH 8-9.5) 1.28 3.49 -6.15 2 5 0 61 338.205 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-bromo-4-fluoro-phenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(3-bromo-4-fluoro-phenyl)meth…

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) 1.37 4.84 -54.11 3 5 1 66 357.203 2 ↓
Hi High (pH 8-9.5) 1.37 3.52 -7.17 2 5 0 61 356.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-bromo-5-fluoro-phenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2-bromo-5-fluoro-phenyl)meth…

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) 1.37 4.68 -51.99 3 5 1 66 357.203 2 ↓
Hi High (pH 8-9.5) 1.37 3.35 -6.44 2 5 0 61 356.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-bromo-2-fluoro-phenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(4-bromo-2-fluoro-phenyl)meth…

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) 1.37 4.76 -53.59 3 5 1 66 357.203 2 ↓
Hi High (pH 8-9.5) 1.37 3.43 -7.72 2 5 0 61 356.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,3-difluorophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2,3-difluorophenyl)methyl]-2…

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) 0.70 4.2 -56.38 3 5 1 66 296.297 2 ↓
Hi High (pH 8-9.5) 0.70 2.87 -10.79 2 5 0 61 295.289 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-difluorophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2,4-difluorophenyl)methyl]-2…

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) 0.72 4.2 -54.05 3 5 1 66 296.297 2 ↓
Hi High (pH 8-9.5) 0.72 2.88 -8.09 2 5 0 61 295.289 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,5-dimethylphenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(3,5-dimethylphenyl)methyl]-2…

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) 1.29 5.51 -52.73 3 5 1 66 288.371 2 ↓
Hi High (pH 8-9.5) 1.29 4.18 -7.01 2 5 0 61 287.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2,5-dimethylphenyl)methyl]-2…

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) 1.29 5.31 -52.38 3 5 1 66 288.371 2 ↓
Hi High (pH 8-9.5) 1.29 3.98 -6.47 2 5 0 61 287.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethylphenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(4-ethylphenyl)methyl]-2,4,8-…

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) 1.38 5.63 -52.35 3 5 1 66 288.371 3 ↓
Hi High (pH 8-9.5) 1.38 4.3 -6.71 2 5 0 61 287.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-difluorophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2,5-difluorophenyl)methyl]-2…

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) 0.72 4.26 -53.29 3 5 1 66 296.297 2 ↓
Hi High (pH 8-9.5) 0.72 2.93 -7.69 2 5 0 61 295.289 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-methoxyphenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2-methoxyphenyl)methyl]-2,4,…

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 4.76 -53.13 3 6 1 75 290.343 3 ↓
Hi High (pH 8-9.5) 0.48 3.44 -7.99 2 6 0 71 289.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(3,4-dimethylphenyl)methyl]-2…

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) 1.29 5.41 -52.69 3 5 1 66 288.371 2 ↓
Hi High (pH 8-9.5) 1.29 4.08 -7.19 2 5 0 61 287.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chlorophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2-chlorophenyl)methyl]-2,4,8…

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) 1.10 4.52 -51.66 3 5 1 66 294.762 2 ↓
Hi High (pH 8-9.5) 0.73 2.17 -51.85 2 5 0 72 293.754 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,6-dichlorophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2,6-dichlorophenyl)methyl]-2…

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) 1.73 4.95 -51.48 3 5 1 66 329.207 2 ↓
Hi High (pH 8-9.5) 1.36 2.44 -51.25 2 5 0 72 328.199 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(3-chlorophenyl)methyl]-2,4,8…

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) 1.12 4.7 -53.19 3 5 1 66 294.762 2 ↓
Hi High (pH 8-9.5) 0.75 2.33 -52.53 2 5 0 72 293.754 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dichlorophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2,4-dichlorophenyl)methyl]-2…

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) 1.75 5.54 -55.19 3 5 1 66 329.207 2 ↓
Hi High (pH 8-9.5) 1.38 3.21 -50.88 2 5 0 72 328.199 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(2-chloro-6-fluoro-phenyl)met…

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) 1.22 4.59 -52.67 3 5 1 66 312.752 2 ↓
Hi High (pH 8-9.5) 0.84 2.42 -51.23 2 5 0 72 311.744 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.59 4.18 -53.08 3 5 1 66 278.307 2 ↓
Hi High (pH 8-9.5) 0.21 1.83 -53.62 2 5 0 72 277.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(o-tolylmethyl)-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-(o-tolylmethyl)-2,4,8-triazasp…

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) 0.87 5.16 -54.77 3 5 1 66 274.344 2 ↓
Hi High (pH 8-9.5) 0.50 2.83 -54.77 2 5 0 72 273.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dichlorophenyl)methyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[(3,4-dichlorophenyl)methyl]-2…

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) 1.75 5.16 -53.54 3 5 1 66 329.207 2 ↓
Hi High (pH 8-9.5) 1.38 2.79 -50.02 2 5 0 72 328.199 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.61 4.25 -54.01 3 5 1 66 278.307 2 ↓
Hi High (pH 8-9.5) 0.24 1.89 -53.8 2 5 0 72 277.299 2 ↓

Parameters Provided:

ring.id = 214330
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 = 214330 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=214330&filter.purchasability=annotated

Embed Link to Results