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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-chloro-N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)benzamide 2-chloro-N-(4-ethyl-3-oxo-1,4-be…

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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) 3.10 -0.14 -16.5 1 5 0 59 330.771 3 ↓

Analogs

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Popular Name: 2-chloro-N-(3-oxo-4-propyl-1,4-benzoxazin-7-yl)benzamide 2-chloro-N-(3-oxo-4-propyl-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) 3.61 -0.12 -16.54 1 5 0 59 344.798 4 ↓

Analogs

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Popular Name: 2-chloro-N-(4-isobutyl-3-oxo-1,4-benzoxazin-7-yl)benzamide 2-chloro-N-(4-isobutyl-3-oxo-1,4…

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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 0.19 -16.53 1 5 0 59 358.825 4 ↓

Analogs

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Popular Name: 2-chloro-N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[4-(2-methylprop-2-en…

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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) 3.92 0.57 -16.71 1 5 0 59 356.809 4 ↓

Analogs

12237021
12237021
12237037
12237037
12237040
12237040

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Popular Name: 2-chloro-N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2R)-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) 3.97 0.09 -16.14 1 5 0 59 358.825 4 ↓

Analogs

12237037
12237037
12237040
12237040
12237017
12237017

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Popular Name: 2-chloro-N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2S)-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) 3.97 0.04 -16.26 1 5 0 59 358.825 4 ↓

Analogs

12237025
12237025

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Popular Name: 2-chloro-N-[(2R)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2R)-4-isobutyl-2-me…

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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 0.45 -16.14 1 5 0 59 372.852 4 ↓

Analogs

12237023
12237023

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Popular Name: 2-chloro-N-[(2S)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2S)-4-isobutyl-2-me…

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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 0.23 -15.86 1 5 0 59 372.852 4 ↓

Analogs

12237030
12237030

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Popular Name: 2-chloro-N-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2S)-2-methyl-4-(2-m…

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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 0.76 -16.47 1 5 0 59 370.836 4 ↓

Analogs

12237028
12237028

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Popular Name: 2-chloro-N-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2R)-2-methyl-4-(2-m…

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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 0.81 -16.34 1 5 0 59 370.836 4 ↓

Analogs

12237035
12237035

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Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-chloro-benzamide N-[(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) 3.74 0.37 -16.34 1 5 0 59 356.809 4 ↓

Analogs

12237033
12237033

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Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-chloro-benzamide N-[(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) 3.74 0.42 -16.19 1 5 0 59 356.809 4 ↓

Analogs

12237040
12237040
12237017
12237017
12237021
12237021

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Popular Name: 2-chloro-N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2R)-4-ethyl-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) 3.47 0.08 -16.08 1 5 0 59 344.798 3 ↓

Analogs

12237017
12237017
12237021
12237021
12237037
12237037

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Popular Name: 2-chloro-N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2S)-4-ethyl-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) 3.47 0.04 -16.18 1 5 0 59 344.798 3 ↓

Analogs

12237045
12237045

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Popular Name: 2-chloro-N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2S)-2,4-dimethyl-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 -0.25 -16.51 1 5 0 59 330.771 2 ↓

Analogs

12237042
12237042

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Popular Name: 2-chloro-N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2R)-2,4-dimethyl-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 -0.14 -16.17 1 5 0 59 330.771 2 ↓

Analogs

12237051
12237051

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Popular Name: 2-chloro-N-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2S)-4-(2-dimethylam…

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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 0.56 -51.04 2 6 1 63 388.875 5 ↓

Analogs

12237048
12237048

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Popular Name: 2-chloro-N-[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[(2R)-4-(2-dimethylam…

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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 0.6 -49.87 2 6 1 63 388.875 5 ↓

Analogs

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Popular Name: 2-chloro-N-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 2-chloro-N-[4-(2-dimethylaminoet…

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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) 2.76 0.38 -51.25 2 6 1 63 374.848 5 ↓

Analogs

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Popular Name: 3-chloro-N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)benzamide 3-chloro-N-(4-ethyl-3-oxo-1,4-be…

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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) 3.13 -0.24 -12.79 1 5 0 59 330.771 3 ↓

Analogs

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Popular Name: 3-chloro-N-(3-oxo-4-propyl-1,4-benzoxazin-7-yl)benzamide 3-chloro-N-(3-oxo-4-propyl-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) 3.63 -0.17 -12.62 1 5 0 59 344.798 4 ↓

Analogs

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Popular Name: 3-chloro-N-(4-isobutyl-3-oxo-1,4-benzoxazin-7-yl)benzamide 3-chloro-N-(4-isobutyl-3-oxo-1,4…

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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) 3.87 0.02 -12.24 1 5 0 59 358.825 4 ↓

Analogs

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Popular Name: 3-chloro-N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[4-(2-methylprop-2-en…

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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) 3.94 0.53 -12.72 1 5 0 59 356.809 4 ↓

Analogs

12237413
12237413
12237425
12237425
12237426
12237426

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Popular Name: 3-chloro-N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2R)-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) 3.99 0.07 -12.48 1 5 0 59 358.825 4 ↓

Analogs

12237425
12237425
12237426
12237426
12237411
12237411

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Popular Name: 3-chloro-N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2S)-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) 3.99 0.02 -12.6 1 5 0 59 358.825 4 ↓

Analogs

12237416
12237416

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Popular Name: 3-chloro-N-[(2R)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2R)-4-isobutyl-2-me…

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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) 4.24 0.42 -12.42 1 5 0 59 372.852 4 ↓

Analogs

12237414
12237414

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Popular Name: 3-chloro-N-[(2S)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2S)-4-isobutyl-2-me…

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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) 4.24 0.2 -12.25 1 5 0 59 372.852 4 ↓

Analogs

12237419
12237419

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Popular Name: 3-chloro-N-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2S)-2-methyl-4-(2-m…

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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 0.72 -12.46 1 5 0 59 370.836 4 ↓

Analogs

12237418
12237418

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Popular Name: 3-chloro-N-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2R)-2-methyl-4-(2-m…

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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 0.79 -12.59 1 5 0 59 370.836 4 ↓

Analogs

12237423
12237423

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Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-3-chloro-benzamide N-[(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) 3.76 0.34 -12.75 1 5 0 59 356.809 4 ↓

Analogs

12237421
12237421

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Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-3-chloro-benzamide N-[(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) 3.76 0.5 -12.47 1 5 0 59 356.809 4 ↓

Analogs

12237426
12237426
12237411
12237411
12237413
12237413

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Popular Name: 3-chloro-N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2R)-4-ethyl-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) 3.49 0.05 -12.57 1 5 0 59 344.798 3 ↓

Analogs

12237411
12237411
12237413
12237413
12237425
12237425

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Popular Name: 3-chloro-N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2S)-4-ethyl-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) 3.49 0 -15.83 1 5 0 59 344.798 3 ↓

Analogs

12237431
12237431

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Popular Name: 3-chloro-N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2S)-2,4-dimethyl-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) 3.12 -0.28 -16.27 1 5 0 59 330.771 2 ↓

Analogs

12237429
12237429

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Popular Name: 3-chloro-N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2R)-2,4-dimethyl-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) 3.12 -0.17 -12.98 1 5 0 59 330.771 2 ↓

Analogs

12237435
12237435

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Popular Name: 3-chloro-N-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2S)-4-(2-dimethylam…

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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 0.46 -50.12 2 6 1 63 388.875 5 ↓

Analogs

12237433
12237433

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Popular Name: 3-chloro-N-[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[(2R)-4-(2-dimethylam…

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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 0.57 -46.62 2 6 1 63 388.875 5 ↓

Analogs

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Popular Name: 3-chloro-N-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 3-chloro-N-[4-(2-dimethylaminoet…

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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 0.28 -49.12 2 6 1 63 374.848 5 ↓

Analogs

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Popular Name: 4-chloro-N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)benzamide 4-chloro-N-(4-ethyl-3-oxo-1,4-be…

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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 -0.23 -14.48 1 5 0 59 330.771 3 ↓

Analogs

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Popular Name: 4-chloro-N-(3-oxo-4-propyl-1,4-benzoxazin-7-yl)benzamide 4-chloro-N-(3-oxo-4-propyl-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) 3.65 -0.15 -14.24 1 5 0 59 344.798 4 ↓

Analogs

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Popular Name: 4-chloro-N-(4-isobutyl-3-oxo-1,4-benzoxazin-7-yl)benzamide 4-chloro-N-(4-isobutyl-3-oxo-1,4…

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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 0.03 -13.86 1 5 0 59 358.825 4 ↓

Analogs

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Popular Name: 4-chloro-N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 4-chloro-N-[4-(2-methylprop-2-en…

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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 0.54 -14.37 1 5 0 59 356.809 4 ↓

Analogs

12237751
12237751
12237767
12237767
12237770
12237770

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Popular Name: 4-chloro-N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]benzamide 4-chloro-N-[(2R)-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) 4.02 0.13 -13.72 1 5 0 59 358.825 4 ↓

Analogs

12237767
12237767
12237770
12237770
12237748
12237748

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Popular Name: 4-chloro-N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]benzamide 4-chloro-N-[(2S)-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) 4.02 0.02 -13.94 1 5 0 59 358.825 4 ↓

Analogs

12237757
12237757

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Popular Name: 4-chloro-N-[(2R)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 4-chloro-N-[(2R)-4-isobutyl-2-me…

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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 0.32 -13.36 1 5 0 59 372.852 4 ↓

Analogs

12237755
12237755

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Popular Name: 4-chloro-N-[(2S)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]benzamide 4-chloro-N-[(2S)-4-isobutyl-2-me…

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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 0.3 -13.9 1 5 0 59 372.852 4 ↓

Analogs

12237762
12237762

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Popular Name: 4-chloro-N-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 4-chloro-N-[(2S)-2-methyl-4-(2-m…

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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 0.71 -13.75 1 5 0 59 370.836 4 ↓

Analogs

12237760
12237760

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Popular Name: 4-chloro-N-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]benzamide 4-chloro-N-[(2R)-2-methyl-4-(2-m…

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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 0.78 -13.99 1 5 0 59 370.836 4 ↓

Analogs

12237764
12237764

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Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-4-chloro-benzamide N-[(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) 3.78 0.34 -13.99 1 5 0 59 356.809 4 ↓

Analogs

12237763
12237763

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Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-4-chloro-benzamide N-[(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) 3.78 0.51 -13.31 1 5 0 59 356.809 4 ↓

Parameters Provided:

ring.id = 65305
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 = 65305 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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