UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32907651
32907651
36743799
36743799
36743812
36743812
48475686
48475686

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

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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) 2.17 -3.57 -14.18 3 6 0 79 283.287 2 ↓

Analogs

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Popular Name: 1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenyl-urea 1-(4-methyl-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) 2.41 4.63 -17.02 2 6 0 71 297.314 2 ↓

Analogs

12234921
12234921

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

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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) 2.78 5.38 -16.39 2 6 0 71 311.341 2 ↓

Analogs

12234920
12234920

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

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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) 2.78 5.48 -16.23 2 6 0 71 311.341 2 ↓

Analogs

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Popular Name: 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenyl-urea 1-(4-ethyl-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) 2.79 5.6 -17.69 2 6 0 71 311.341 3 ↓

Analogs

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Popular Name: 1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-3-phenyl-urea 1-(3-oxo-4-propyl-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) 3.29 6.36 -17.58 2 6 0 71 325.368 4 ↓

Analogs

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Popular Name: N,N-diethyl-2-[3-oxo-6-(phenylcarbamoylamino)-1,4-benzoxazin-4-yl]acetamide N,N-diethyl-2-[3-oxo-6-(phenylca…

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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) 2.52 7.23 -25.96 2 8 0 91 396.447 6 ↓

Analogs

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Popular Name: 1-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenyl-urea 1-(4-allyl-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) 3.06 6.13 -16.47 2 6 0 71 323.352 4 ↓

Analogs

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Popular Name: 1-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]-3-phenyl-urea 1-[4-(2-methylprop-2-enyl)-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) 3.60 6.7 -16.32 2 6 0 71 337.379 4 ↓

Analogs

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Popular Name: 1-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenyl-urea 1-(4-butyl-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) 3.85 7.14 -17.42 2 6 0 71 339.395 5 ↓

Analogs

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Popular Name: 1-(3-oxo-4-pentyl-1,4-benzoxazin-6-yl)-3-phenyl-urea 1-(3-oxo-4-pentyl-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) 4.36 7.92 -17.38 2 6 0 71 353.422 6 ↓

Analogs

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

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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) 3.53 6.86 -16.38 2 6 0 71 339.395 4 ↓

Analogs

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

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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) 3.09 6.13 -16.18 2 6 0 71 325.368 3 ↓

Analogs

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

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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) 2.44 6.99 -41.83 3 7 1 75 355.418 5 ↓
Hi High (pH 8-9.5) 2.44 4.46 -17.87 2 7 0 74 354.41 5 ↓

Analogs

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

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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) 2.71 7.77 -44.29 3 7 1 75 369.445 6 ↓
Hi High (pH 8-9.5) 2.71 5.25 -17.58 2 7 0 74 368.437 6 ↓

Analogs

12235022
12235022

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

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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) 3.15 6.3 -16.17 2 6 0 71 325.368 3 ↓

Analogs

12235021
12235021

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

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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) 3.15 6.28 -16.33 2 6 0 71 325.368 3 ↓

Analogs

12235032
12235032

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

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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) 3.65 7.13 -17.18 2 6 0 71 339.395 4 ↓

Analogs

12235030
12235030

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

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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) 3.65 7.02 -16.47 2 6 0 71 339.395 4 ↓

Analogs

12235063
12235063

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

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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) 3.42 6.82 -16.09 2 6 0 71 337.379 4 ↓

Analogs

12235062
12235062

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

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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) 3.42 6.93 -17.21 2 6 0 71 337.379 4 ↓

Analogs

12235065
12235065

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

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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) 3.97 7.53 -15.94 2 6 0 71 351.406 4 ↓

Analogs

12235064
12235064

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

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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) 3.97 7.55 -15.85 2 6 0 71 351.406 4 ↓

Analogs

12235070
12235070

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

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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) 4.21 7.92 -16.17 2 6 0 71 353.422 5 ↓

Analogs

12235068
12235068

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

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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) 4.21 7.79 -16.52 2 6 0 71 353.422 5 ↓

Analogs

12235073
12235073

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

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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) 4.72 8.62 -16.47 2 6 0 71 367.449 6 ↓

Analogs

12235072
12235072

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

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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) 4.72 8.6 -16.1 2 6 0 71 367.449 6 ↓

Analogs

12235079
12235079

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

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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) 2.81 7.66 -52.03 3 7 1 75 369.445 5 ↓
Hi High (pH 8-9.5) 2.81 5.12 -16.61 2 7 0 74 368.437 5 ↓

Analogs

12235078
12235078

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

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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) 2.81 7.77 -41.34 3 7 1 75 369.445 5 ↓
Hi High (pH 8-9.5) 2.81 5.23 -17.46 2 7 0 74 368.437 5 ↓

Analogs

12235084
12235084

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

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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) 3.08 8.44 -50.66 3 7 1 75 383.472 6 ↓
Hi High (pH 8-9.5) 3.08 5.91 -17.19 2 7 0 74 382.464 6 ↓

Analogs

12235083
12235083

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

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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) 3.08 8.48 -55.71 3 7 1 75 383.472 6 ↓
Hi High (pH 8-9.5) 3.08 5.95 -16.46 2 7 0 74 382.464 6 ↓

Analogs

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

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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) 2.85 -3.72 -14.16 3 6 0 79 317.732 2 ↓

Analogs

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

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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) 3.09 -2.06 -13.38 2 6 0 71 331.759 2 ↓

Analogs

12235257
12235257

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Popular Name: 3-(4-chlorophenyl)-1-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]urea 3-(4-chlorophenyl)-1-[(2S)-2,4-d…

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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) 3.45 -1.9 -12.52 2 6 0 71 345.786 2 ↓

Analogs

12235254
12235254

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Popular Name: 3-(4-chlorophenyl)-1-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]urea 3-(4-chlorophenyl)-1-[(2R)-2,4-d…

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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) 3.45 -1.9 -13.75 2 6 0 71 345.786 2 ↓

Analogs

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

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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) 3.47 -1.83 -13.32 2 6 0 71 345.786 3 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)urea 3-(4-chlorophenyl)-1-(3-oxo-4-pr…

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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) 3.97 -1.76 -13.18 2 6 0 71 359.813 4 ↓

Analogs

12235282
12235282

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

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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) 3.21 -3.52 -13.96 3 6 0 79 331.759 2 ↓

Analogs

12235277
12235277

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

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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) 3.21 -3.47 -13.69 3 6 0 79 331.759 2 ↓

Analogs

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Popular Name: 1-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-chlorophenyl)urea 1-(4-allyl-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) 3.74 -1.38 -12.81 2 6 0 71 357.797 4 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]urea 3-(4-chlorophenyl)-1-[4-(2-methy…

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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) 4.28 -1.1 -12.84 2 6 0 71 371.824 4 ↓

Analogs

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Popular Name: 1-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-chlorophenyl)urea 1-(4-butyl-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) 4.53 -1.64 -13.14 2 6 0 71 373.84 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-(3-oxo-4-pentyl-1,4-benzoxazin-6-yl)urea 3-(4-chlorophenyl)-1-(3-oxo-4-pe…

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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) 5.03 -1.52 -13.06 2 6 0 71 387.867 6 ↓

Analogs

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

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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) 4.21 -1.58 -12.66 2 6 0 71 373.84 4 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-(4-isopropyl-3-oxo-1,4-benzoxazin-6-yl)urea 3-(4-chlorophenyl)-1-(4-isopropy…

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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) 3.76 -1.6 -12.57 2 6 0 71 359.813 3 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-6-yl]urea 3-(4-chlorophenyl)-1-[4-(2-dimet…

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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) 3.12 -1.31 -48.48 3 7 1 75 389.863 5 ↓

Analogs

12235440
12235440

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

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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) 3.83 -1.63 -13.37 2 6 0 71 359.813 3 ↓

Analogs

12235438
12235438

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

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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) 3.83 -1.63 -12.72 2 6 0 71 359.813 3 ↓

Analogs

12235463
12235463

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

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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) 4.33 -1.51 -12.41 2 6 0 71 373.84 4 ↓

Analogs

12235459
12235459

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

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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) 4.33 -1.58 -12.82 2 6 0 71 373.84 4 ↓

Parameters Provided:

ring.id = 98407
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 = 98407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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