UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.09 3.83 -26.57 4 9 0 120 387.44 4 ↓
Hi High (pH 8-9.5) 2.17 2.19 -76.47 3 9 -1 126 386.432 4 ↓

Analogs

36624455
36624455

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)benzamide 2-chloro-N-(1,3-dioxo-2,4-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) 1.56 5.12 -16.75 2 6 0 79 321.764 2 ↓
Hi High (pH 8-9.5) 2.64 4.01 -59.77 1 6 -1 85 320.756 2 ↓

Analogs

36624456
36624456

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)benzamide 2,4-dichloro-N-(1,3-dioxo-2,4-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) 2.22 5.63 -14.63 2 6 0 79 356.209 2 ↓
Hi High (pH 8-9.5) 3.30 4.52 -52.97 1 6 -1 85 355.201 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.56 5.98 -21.5 3 8 0 108 400.479 4 ↓
Hi High (pH 8-9.5) 2.64 5.34 -60.07 2 8 -1 114 399.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.34 4.84 -17.5 2 7 0 88 331.372 4 ↓
Hi High (pH 8-9.5) 2.42 3.23 -62.31 1 7 -1 94 330.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.15 5.42 -23.54 2 9 0 116 450.561 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.52 4.5 -18.9 2 8 0 97 347.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.30 2.85 -26.64 2 8 0 113 379.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.84 5.64 -17.2 2 7 0 88 345.399 5 ↓
Hi High (pH 8-9.5) 2.92 4.03 -61.94 1 7 -1 94 344.391 5 ↓

Parameters Provided:

ring.id = 19112
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 = 19112 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=19112&filter.purchasability=annotated

Embed Link to Results