UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 1.98 7.56 -16.46 1 10 0 126 438.392 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trio (5E)-1-(1,3-benzodioxol-5-yl)-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) 1.45 3.74 -14.45 2 9 0 120 396.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[(2-methoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(1,3-benzodioxol-5-yl)-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) 1.75 5.04 -11.31 1 8 0 100 366.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[(3-hydroxy-4-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-tri (5E)-1-(1,3-benzodioxol-5-yl)-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) 1.08 2.82 -15.35 2 9 0 120 382.328 3 ↓
Ref Reference (pH 7) 1.53 0.39 -48.22 1 9 -1 123 381.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-allyloxyphenyl)methylene]-1-(1,3-benzodioxol-5-yl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(4-allyloxyphenyl)methyl…

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) 2.44 6.52 -12.5 1 8 0 100 392.367 5 ↓

Analogs

1185316
1185316

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(1,3-benzodioxol-5-yl)-5-[(4-bromophenyl)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(1,3-benzodioxol-5-yl)-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) 2.55 6.27 -10.9 1 7 0 90 415.199 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-allyl-5-ethoxy-4-hydroxy-phenyl)methylene]-1-(1,3-benzodioxol-5-yl)hexahydropyrimidine-2, (5Z)-5-[(3-allyl-5-ethoxy-4-hydr…

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) 2.43 5.81 -14.61 2 9 0 120 436.42 6 ↓

Parameters Provided:

ring.id = 145678
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 = 145678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=145678&filter.purchasability=annotated

Embed Link to Results