UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(2-fluorophenyl)sulfanylacetyl]-2,5-diazaspiro[5.5]undecane-1,3-dione 5-[2-(2-fluorophenyl)sulfanylace…

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) 2.60 6.05 -18.11 1 5 0 66 350.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(3,4-dimethylphenyl)sulfanylacetyl]-2,5-diazaspiro[5.5]undecane-1,3-dione 5-[2-(3,4-dimethylphenyl)sulfany…

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) 3.31 7.2 -14.47 1 5 0 66 360.479 3 ↓

Analogs

37021860
37021860

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-7,10-diazaspiro[5.5]undecane-9,11-dione 7-[2-[(5-amino-4H-1,2,4-triazol-…

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) 0.23 2.78 -16.87 4 9 0 134 338.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,5-diazaspiro[5.5]undecane 5-[2-[[4-benzyl-5-(2-methyl-3-fu…

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) 3.37 10.44 -16.34 1 9 0 110 493.589 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,5-diazaspiro[5.5]u 5-[2-[[5-[(2-chlorophenoxy)methy…

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) 2.88 8.12 -18.89 1 9 0 106 477.974 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-2,5-diazaspiro[5.5]undecane-1,3-dione 5-[2-[1-(3-chlorophenyl)tetrazol…

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) 2.49 5.92 -15.71 1 9 0 110 434.909 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,5-diazaspiro[5.5]undecane-1,3-di 5-[2-[[4-propyl-5-(4-pyridyl)-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) 2.20 7.5 -16.18 1 9 0 110 442.545 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(1,3-dioxo-2,5-diazaspiro[5.5]undecan-5-yl)-2-oxo-ethyl]sulfanylphenyl]acetamide N-[4-[2-(1,3-dioxo-2,5-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) 1.71 4.9 -18.54 2 7 0 96 389.477 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-1,3-dioxo-2,5-diazaspiro[5.5]undecane-5-carboxamide N-(2-chlorophenyl)-1,3-dioxo-2,5…

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) 3.09 4.38 -9.22 2 6 0 79 335.791 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dioxo-N-(4-pyridyl)-2,5-diazaspiro[5.5]undecane-5-carboxamide 1,3-dioxo-N-(4-pyridyl)-2,5-diaz…

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) 1.17 2.11 -14 2 7 0 91 302.334 1 ↓
Mid Mid (pH 6-8) 1.17 2.57 -44.86 3 7 1 93 303.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]-2,5-diazaspiro[5.5]undecane-1,3-dione 5-[2-(3-nitro-1,2,4-triazol-1-yl…

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) -0.14 6.67 -31.45 1 11 0 143 336.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methylisoxazol-5-yl)-1,3-dioxo-2,5-diazaspiro[5.5]undecane-5-carboxamide N-(3-methylisoxazol-5-yl)-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) 1.29 1.93 -19.56 2 8 0 105 306.322 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylpyrazol-3-yl)-1,3-dioxo-2,5-diazaspiro[5.5]undecane-5-carboxamide N-(2,5-dimethylpyrazol-3-yl)-1,3…

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 3.1 -15.57 2 8 0 96 319.365 1 ↓
Lo Low (pH 4.5-6) 1.25 3.24 -40.87 3 8 1 98 320.373 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dioxo-N-(3-pyridyl)-2,5-diazaspiro[5.5]undecane-5-carboxamide 1,3-dioxo-N-(3-pyridyl)-2,5-diaz…

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 2.12 -15.66 2 7 0 91 302.334 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5-dimethylthiazol-2-yl)-1,3-dioxo-2,5-diazaspiro[5.5]undecane-5-carboxamide N-(4,5-dimethylthiazol-2-yl)-1,3…

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) 1.95 3.74 -16.68 2 7 0 91 336.417 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-nitrophenyl)-1,3-dioxo-2,5-diazaspiro[5.5]undecane-5-carboxamide N-(3-nitrophenyl)-1,3-dioxo-2,5-…

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) 2.39 4.62 -14.41 2 9 0 124 346.343 2 ↓

Parameters Provided:

ring.id = 233819
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 = 233819 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=233819&filter.purchasability=annotated

Embed Link to Results