UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12234523
12234523

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

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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) 4.02 -2.56 -12.56 2 6 0 71 379.46 4 ↓

Analogs

12234410
12234410

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

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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) 4.47 -2.21 -12.83 2 6 0 71 393.487 4 ↓

Analogs

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Popular Name: 3-cyclohexyl-1-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]urea 3-cyclohexyl-1-[4-[(4-fluorophen…

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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) 4.18 -1.79 -13.39 2 6 0 71 397.45 4 ↓

Analogs

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Popular Name: 3-cyclohexyl-1-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]urea 3-cyclohexyl-1-[4-[(2-fluorophen…

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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) 4.14 -2.11 -11.37 2 6 0 71 397.45 4 ↓

Analogs

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

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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) 4.42 -1.77 -12.29 2 6 0 71 393.487 4 ↓

Analogs

12234616
12234616

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

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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) 4.38 -2.38 -12.51 2 6 0 71 393.487 4 ↓

Analogs

12234612
12234612

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

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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) 4.38 -2.31 -12.24 2 6 0 71 393.487 4 ↓

Parameters Provided:

ring.id = 98128
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 = 98128 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=98128&filter.purchasability=annotated

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