UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-phenyl-urea 3-(3-oxo-4H-1,4-benzoxazin-7-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 -3.52 -14.9 3 6 0 79 283.287 2 ↓

Analogs

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Popular Name: 1-(4-methyl-3-oxo-1,4-benzoxazin-7-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 4.7 -19.65 2 6 0 71 297.314 2 ↓

Analogs

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Popular Name: 1-(4-ethyl-3-oxo-1,4-benzoxazin-7-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 5.63 -19.53 2 6 0 71 311.341 3 ↓

Analogs

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Popular Name: 1-(3-oxo-4-propyl-1,4-benzoxazin-7-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 6.4 -19.37 2 6 0 71 325.368 4 ↓

Analogs

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Popular Name: 1-(4-allyl-3-oxo-1,4-benzoxazin-7-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 6.2 -18.92 2 6 0 71 323.352 4 ↓

Analogs

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Popular Name: 1-(4-isobutyl-3-oxo-1,4-benzoxazin-7-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 6.94 -18.93 2 6 0 71 339.395 4 ↓

Analogs

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Popular Name: 1-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-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 6.77 -19.18 2 6 0 71 337.379 4 ↓

Analogs

12234901
12234901
12234909
12234909
12234910
12234910

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Popular Name: 1-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-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 7.14 -18.71 2 6 0 71 339.395 4 ↓

Analogs

12234909
12234909
12234910
12234910
12234900
12234900

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Popular Name: 1-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-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 7.04 -18.69 2 6 0 71 339.395 4 ↓

Analogs

12234903
12234903

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Popular Name: 1-[(2R)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-3-phenyl-urea 1-[(2R)-4-isobutyl-2-methyl-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) 3.90 7.76 -18.58 2 6 0 71 353.422 4 ↓

Analogs

12234902
12234902

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Popular Name: 1-[(2S)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-3-phenyl-urea 1-[(2S)-4-isobutyl-2-methyl-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) 3.90 7.69 -18.56 2 6 0 71 353.422 4 ↓

Analogs

12234905
12234905

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Popular Name: 1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-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 7.57 -18.82 2 6 0 71 351.406 4 ↓

Analogs

12234904
12234904

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Popular Name: 1-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-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 7.67 -18.83 2 6 0 71 351.406 4 ↓

Analogs

12234908
12234908

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Popular Name: 1-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-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 6.84 -18.95 2 6 0 71 337.379 4 ↓

Analogs

12234906
12234906

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Popular Name: 1-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-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 6.94 -19.02 2 6 0 71 337.379 4 ↓

Analogs

12234910
12234910
12234900
12234900
12234901
12234901

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Popular Name: 1-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-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 6.39 -19.57 2 6 0 71 325.368 3 ↓

Analogs

12234900
12234900
12234901
12234901
12234909
12234909

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-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 6.33 -19.07 2 6 0 71 325.368 3 ↓

Analogs

12234912
12234912

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Popular Name: 1-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-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 -19.21 2 6 0 71 311.341 2 ↓

Analogs

12234911
12234911

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Popular Name: 1-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-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 5.5 -19.23 2 6 0 71 311.341 2 ↓

Analogs

12234914
12234914

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Popular Name: 1-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-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 7.67 -55.31 3 7 1 75 369.445 5 ↓
Hi High (pH 8-9.5) 2.81 5.13 -18.58 2 7 0 74 368.437 5 ↓

Analogs

12234913
12234913

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Popular Name: 1-[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-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 7.78 -57.09 3 7 1 75 369.445 5 ↓
Hi High (pH 8-9.5) 2.81 5.24 -18.1 2 7 0 74 368.437 5 ↓

Analogs

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Popular Name: 1-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-7-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 7.04 -54.13 3 7 1 75 355.418 5 ↓
Hi High (pH 8-9.5) 2.44 4.5 -19.4 2 7 0 74 354.41 5 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-(3-oxo-4H-1,4-benzoxazin-7-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 -3.67 -14.78 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-7-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 -2.07 -15.28 2 6 0 71 331.759 2 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-(4-ethyl-3-oxo-1,4-benzoxazin-7-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 -1.77 -15.49 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-7-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 -1.71 -15.33 2 6 0 71 359.813 4 ↓

Analogs

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Popular Name: 1-(4-allyl-3-oxo-1,4-benzoxazin-7-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 -1.33 -14.94 2 6 0 71 357.797 4 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-(4-isobutyl-3-oxo-1,4-benzoxazin-7-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 -1.52 -14.9 2 6 0 71 373.84 4 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-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 -1.05 -15.3 2 6 0 71 371.824 4 ↓

Analogs

12235203
12235203
12235229
12235229
12235231
12235231

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Popular Name: 3-(4-chlorophenyl)-1-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-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 -1.53 -14.75 2 6 0 71 373.84 4 ↓

Analogs

12235229
12235229
12235231
12235231
12235200
12235200

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Popular Name: 3-(4-chlorophenyl)-1-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-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 -1.55 -15.04 2 6 0 71 373.84 4 ↓

Analogs

12235211
12235211

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Popular Name: 3-(4-chlorophenyl)-1-[(2R)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]urea 3-(4-chlorophenyl)-1-[(2R)-4-iso…

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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) 4.58 -1.22 -14.63 2 6 0 71 387.867 4 ↓

Analogs

12235207
12235207

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Popular Name: 3-(4-chlorophenyl)-1-[(2S)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]urea 3-(4-chlorophenyl)-1-[(2S)-4-iso…

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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) 4.58 -1.36 -14.64 2 6 0 71 387.867 4 ↓

Analogs

12235217
12235217

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Popular Name: 3-(4-chlorophenyl)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-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) 4.64 -0.89 -15 2 6 0 71 385.851 4 ↓

Analogs

12235213
12235213

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Popular Name: 3-(4-chlorophenyl)-1-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-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) 4.64 -0.86 -15.31 2 6 0 71 385.851 4 ↓

Analogs

12235224
12235224

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Popular Name: 1-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-3-(4-chlorophenyl)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) 4.10 -1.17 -14.64 2 6 0 71 371.824 4 ↓

Analogs

12235220
12235220

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Popular Name: 1-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-3-(4-chlorophenyl)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) 4.10 -1.2 -14.9 2 6 0 71 371.824 4 ↓

Analogs

12235231
12235231
12235200
12235200
12235203
12235203

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Popular Name: 3-(4-chlorophenyl)-1-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-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 -1.59 -15.55 2 6 0 71 359.813 3 ↓

Analogs

12235200
12235200
12235203
12235203
12235229
12235229

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Popular Name: 3-(4-chlorophenyl)-1-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-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 -1.7 -15.54 2 6 0 71 359.813 3 ↓

Analogs

12235236
12235236

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Popular Name: 3-(4-chlorophenyl)-1-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-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 -1.85 -15.21 2 6 0 71 345.786 2 ↓

Analogs

12235234
12235234

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Popular Name: 3-(4-chlorophenyl)-1-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-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 -1.84 -14.92 2 6 0 71 345.786 2 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-7-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 -1.25 -50.33 3 7 1 75 389.863 5 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea 1-(3-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) 2.82 -3.69 -16.97 3 6 0 79 317.732 2 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)urea 3-(3-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) 3.07 -2.02 -17.11 2 6 0 71 331.759 2 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)urea 3-(3-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) 3.44 -1.82 -17.63 2 6 0 71 345.786 3 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1-(3-oxo-4-propyl-1,4-benzoxazin-7-yl)urea 3-(3-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) 3.95 -1.73 -16.88 2 6 0 71 359.813 4 ↓

Analogs

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Popular Name: 1-(4-allyl-3-oxo-1,4-benzoxazin-7-yl)-3-(3-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) 3.71 -1.37 -17.12 2 6 0 71 357.797 4 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1-(4-isobutyl-3-oxo-1,4-benzoxazin-7-yl)urea 3-(3-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) 4.19 -1.53 -17.56 2 6 0 71 373.84 4 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]urea 3-(3-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) 4.26 -1.08 -17.34 2 6 0 71 371.824 4 ↓

Analogs

12235748
12235748
12235778
12235778
12235781
12235781

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Popular Name: 3-(3-chlorophenyl)-1-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]urea 3-(3-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) 4.31 -1.48 -16.56 2 6 0 71 373.84 4 ↓

Parameters Provided:

ring.id = 98366
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 = 98366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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