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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

1846075
1846075
26014112
26014112
26014119
26014119

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Popular Name: profen profen

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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 2.2 -48.15 0 4 -1 66 295.314 2 ↓

Analogs

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Popular Name: (2S)-2-(6-oxo-5H-[1]benzoxepino[2,3-b]pyridin-8-yl)propanamide (2S)-2-(6-oxo-5H-[1]benzoxepino[…

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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) 1.94 2.63 -17.4 2 5 0 82 282.299 2 ↓

Analogs

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Popular Name: (2R)-2-(6-oxo-5H-[1]benzoxepino[2,3-b]pyridin-8-yl)propanamide (2R)-2-(6-oxo-5H-[1]benzoxepino[…

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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) 1.94 2.62 -19.19 2 5 0 82 282.299 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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 10.53 -10.54 0 4 0 53 310.349 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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 10.54 -11.92 0 4 0 53 310.349 4 ↓

Analogs

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Popular Name: (2S)-2-(6-oxo-5H-benzo[b][1]benzoxepin-9-yl)propanamide (2S)-2-(6-oxo-5H-benzo[b][1]benz…

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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) 2.84 5.7 -15.44 2 4 0 69 281.311 2 ↓

Analogs

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Popular Name: (2R)-2-(6-oxo-5H-benzo[b][1]benzoxepin-9-yl)propanamide (2R)-2-(6-oxo-5H-benzo[b][1]benz…

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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) 2.84 5.69 -14.2 2 4 0 69 281.311 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.34 9.61 -12.34 0 4 0 53 296.322 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.34 9.62 -11.28 0 4 0 53 296.322 3 ↓

Analogs

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Popular Name: (2S)-2-(6-oxo-5H-[1]benzoxepino[2,3-b]pyridin-8-yl)propanoic (2S)-2-(6-oxo-5H-[1]benzoxepino[…

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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) 2.46 6.48 -50.13 0 5 -1 79 282.275 2 ↓

Analogs

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Popular Name: (2R)-2-(6-oxo-5H-[1]benzoxepino[2,3-b]pyridin-8-yl)propanoic (2R)-2-(6-oxo-5H-[1]benzoxepino[…

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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) 2.46 6.45 -53.57 0 5 -1 79 282.275 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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 10.51 -12.06 0 4 0 53 310.349 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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 10.53 -10.97 0 4 0 53 310.349 4 ↓

Analogs

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Popular Name: (2S)-2-(6-oxo-5H-[1]benzoxepino[2,3-b]pyridin-9-yl)propanamide (2S)-2-(6-oxo-5H-[1]benzoxepino[…

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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) 1.94 2.63 -18.54 2 5 0 82 282.299 2 ↓

Analogs

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Popular Name: (2R)-2-(6-oxo-5H-[1]benzoxepino[2,3-b]pyridin-9-yl)propanamide (2R)-2-(6-oxo-5H-[1]benzoxepino[…

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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) 1.94 2.63 -17.06 2 5 0 82 282.299 2 ↓

Analogs

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Popular Name: (2S)-2-(6-oxo-5H-benzo[b][1]benzoxepin-9-yl)propanoic (2S)-2-(6-oxo-5H-benzo[b][1]benz…

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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) 3.36 9.55 -49.83 0 4 -1 66 281.287 2 ↓

Analogs

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Popular Name: (2R)-2-(6-oxo-5H-benzo[b][1]benzoxepin-9-yl)propanoic (2R)-2-(6-oxo-5H-benzo[b][1]benz…

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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) 3.36 9.54 -46.76 0 4 -1 66 281.287 2 ↓

Analogs

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Popular Name: (2S)-2-(6-oxo-5H-benzo[b][1]benzoxepin-8-yl)propanamide (2S)-2-(6-oxo-5H-benzo[b][1]benz…

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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) 2.84 5.7 -13.66 2 4 0 69 281.311 2 ↓

Analogs

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Popular Name: (2R)-2-(6-oxo-5H-benzo[b][1]benzoxepin-8-yl)propanamide (2R)-2-(6-oxo-5H-benzo[b][1]benz…

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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) 2.84 5.69 -15.15 2 4 0 69 281.311 2 ↓

Analogs

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Popular Name: (2S)-2-(6-oxo-5H-[1]benzoxepino[2,3-b]pyridin-9-yl)propanoic (2S)-2-(6-oxo-5H-[1]benzoxepino[…

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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) 2.46 6.49 -54.19 0 5 -1 79 282.275 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(6-oxo-5H-[1]benzoxepino[2,3-b]pyridin-9-yl)propanoic (2R)-2-(6-oxo-5H-[1]benzoxepino[…

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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) 2.46 6.47 -50.53 0 5 -1 79 282.275 2 ↓

Analogs

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Popular Name: (2S)-2-(6-oxo-5H-benzo[b][1]benzoxepin-10-yl)propanamide (2S)-2-(6-oxo-5H-benzo[b][1]benz…

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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) 2.35 5.71 -14.51 2 4 0 69 281.311 2 ↓

Analogs

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Popular Name: (2R)-2-(6-oxo-5H-benzo[b][1]benzoxepin-10-yl)propanamide (2R)-2-(6-oxo-5H-benzo[b][1]benz…

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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) 2.35 5.7 -13.24 2 4 0 69 281.311 2 ↓

Analogs

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Popular Name: (2S)-2-(6-oxo-5H-benzo[b][1]benzoxepin-10-yl)propanoic (2S)-2-(6-oxo-5H-benzo[b][1]benz…

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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) 2.86 9.59 -55.05 0 4 -1 66 281.287 2 ↓

Analogs

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Popular Name: (2R)-2-(6-oxo-5H-benzo[b][1]benzoxepin-10-yl)propanoic (2R)-2-(6-oxo-5H-benzo[b][1]benz…

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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) 2.86 9.55 -50.16 0 4 -1 66 281.287 2 ↓

Analogs

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Popular Name: 6-METHYLDIBENZO[B,F]OXEPIN-10(11H)-ONE 6-METHYLDIBENZO[B,F]OXEPIN-10(11…

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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) 3.56 8.38 -9.19 0 2 0 26 224.259 0 ↓

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