UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12234972
12234972

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-benzyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenyl-urea 1-(4-benzyl-3-oxo-1,4-benzoxazin…

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) 3.81 8.58 -17.66 2 6 0 71 373.412 4 ↓

Analogs

12234923
12234923

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-oxo-4-(p-tolylmethyl)-1,4-benzoxazin-6-yl]-3-phenyl-urea 1-[3-oxo-4-(p-tolylmethyl)-1,4-b…

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) 4.26 9.27 -17.81 2 6 0 71 387.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]-1-phenyl-urea 3-[4-[(4-fluorophenyl)methyl]-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) 3.97 -0.76 -14.62 2 6 0 71 391.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]-1-phenyl-urea 3-[4-[(2-fluorophenyl)methyl]-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) 3.93 -1.03 -16.89 2 6 0 71 391.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(o-tolylmethyl)-3-oxo-1,4-benzoxazin-6-yl]-3-phenyl-urea 1-[4-(o-tolylmethyl)-3-oxo-1,4-b…

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) 4.21 9.64 -15.94 2 6 0 71 387.439 4 ↓

Analogs

12235025
12235025

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenyl-urea 1-[(2S)-4-benzyl-2-methyl-3-oxo-…

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) 4.17 9.23 -17.07 2 6 0 71 387.439 4 ↓

Analogs

12235024
12235024

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenyl-urea 1-[(2R)-4-benzyl-2-methyl-3-oxo-…

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) 4.17 9.36 -17.13 2 6 0 71 387.439 4 ↓

Parameters Provided:

ring.id = 98415
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 = 98415 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=98415&filter.purchasability=annotated

Embed Link to Results