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Analogs

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Popular Name: N-(3-imidazol-1-ylpropyl)-N'-(oxoBLAHyl)-oxamide N-(3-imidazol-1-ylpropyl)-N'-(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) -0.10 -2.61 -17.19 2 8 0 96 381.436 6 ↓
Mid Mid (pH 6-8) -0.10 -2.33 -44.87 3 8 1 97 382.444 6 ↓

Analogs

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Popular Name: 4-bromo-N-(oxoBLAHyl)-benzenesulfonamide 4-bromo-N-(oxoBLAHyl)-benzenesul…

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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) 3.24 -4.84 -11.96 1 5 0 66 421.316 3 ↓
Hi High (pH 8-9.5) 3.24 -4.26 -37.94 0 5 -1 68 420.308 3 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-oxo-BLAHsulfonamide N-(4-bromophenyl)-oxo-BLAHsulfon…

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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) 3.24 -5.13 -11.86 1 5 0 66 421.316 3 ↓
Hi High (pH 8-9.5) 3.24 -4.55 -39.29 0 5 -1 68 420.308 3 ↓

Analogs

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Popular Name: oxo-N-[4-(trifluoromethoxy)phenyl]-BLAHsulfonamide oxo-N-[4-(trifluoromethoxy)pheny…

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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) 3.40 -2.85 -12.47 1 6 0 75 426.416 5 ↓
Hi High (pH 8-9.5) 3.40 -2.28 -38.89 0 6 -1 77 425.408 5 ↓

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-oxo-BLAHsulfonamide N-(4-bromo-2-methyl-phenyl)-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) 3.62 -4.36 -11.79 1 5 0 66 435.343 3 ↓
Hi High (pH 8-9.5) 3.62 -3.89 -37.94 0 5 -1 68 434.335 3 ↓

Analogs

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Popular Name: N-(4-bromo-3-methyl-phenyl)-oxo-BLAHsulfonamide N-(4-bromo-3-methyl-phenyl)-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) 3.62 -4.77 -11.94 1 5 0 66 435.343 3 ↓
Hi High (pH 8-9.5) 3.62 -4.19 -40.3 0 5 -1 68 434.335 3 ↓

Analogs

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Popular Name: butyl butyl

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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) 4.04 -3.06 -14.85 1 7 0 93 442.537 8 ↓
Hi High (pH 8-9.5) 4.04 -2.49 -40.98 0 7 -1 94 441.529 8 ↓

Analogs

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Popular Name: N'-(oxoBLAHyl)-N-(2-pyridylmethyl)oxamide N'-(oxoBLAHyl)-N-(2-pyridylmethy…

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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) 0.18 -3.78 -13.16 2 7 0 91 364.405 4 ↓
Lo Low (pH 4.5-6) 0.18 -3.72 -43.12 3 7 1 92 365.413 4 ↓

Analogs

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Popular Name: N'-(oxoBLAHyl)-N-(3-pyridylmethyl)oxamide N'-(oxoBLAHyl)-N-(3-pyridylmethy…

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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) 0.11 -3.6 -13.07 2 7 0 91 364.405 4 ↓
Lo Low (pH 4.5-6) 0.11 -3.49 -44.95 3 7 1 92 365.413 4 ↓

Analogs

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Popular Name: N'-(oxoBLAHyl)-N-(4-pyridylmethyl)oxamide N'-(oxoBLAHyl)-N-(4-pyridylmethy…

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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) 0.06 -3.58 -13.05 2 7 0 91 364.405 4 ↓
Lo Low (pH 4.5-6) 0.06 -3.47 -45.2 3 7 1 92 365.413 4 ↓

Analogs

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Popular Name: [4-(2-fluorophenyl)piperazin-1-yl]sulfonylBLAHone [4-(2-fluorophenyl)piperazin-1-y…

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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) 2.68 7.77 -13.92 0 6 0 61 429.517 3 ↓

Analogs

39703717
39703717
5154101
5154101

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Popular Name: [4-(4-methoxyphenyl)piperazin-1-yl]sulfonylBLAHone [4-(4-methoxyphenyl)piperazin-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) 2.62 -6.16 -14.67 0 7 0 70 441.553 4 ↓

Analogs

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Popular Name: [4-(3-chlorophenyl)piperazin-1-yl]sulfonylBLAHone [4-(3-chlorophenyl)piperazin-1-y…

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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) 3.22 -6.31 -13.6 0 6 0 60 445.972 3 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(1-methylindolin-5-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) 1.48 7.48 -12.75 2 9 0 94 517.63 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]-N'-(oxoBLAHyl)oxamide N-[(2R)-2-(1-methylindolin-5-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) 1.48 7.46 -13 2 9 0 94 517.63 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2R)-2-(1-methylindolin-5-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) 1.52 9.75 -47.35 3 9 1 89 531.681 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-methylindolin-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(1-methylindolin-5-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) 1.52 9.24 -45.28 3 9 1 89 531.681 6 ↓

Analogs

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-N'-(oxoBLAHyl)oxamide N-[(1-isopropyl-4-piperidyl)meth…

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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) 1.43 8.41 -43.57 3 7 1 83 413.542 5 ↓

Analogs

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-N'-(oxoBLAHyl)oxamide N-[[1-(2-methoxyethyl)-4-piperid…

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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) 0.74 7.06 -45.17 3 8 1 92 429.541 7 ↓

Analogs

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Popular Name: N'-[(1-cyclopentyl-4-piperidyl)methyl]-N-(oxoBLAHyl)oxamide N'-[(1-cyclopentyl-4-piperidyl)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) 2.15 9.75 -44.99 3 7 1 83 439.58 5 ↓

Analogs

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Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-N'-(oxoBLAHyl)oxamide N-[(1-benzyl-4-piperidyl)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) 2.15 10.79 -48.96 3 7 1 83 461.586 6 ↓

Analogs

39703715
39703715
9738320
9738320

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-N'-(oxoBLAHyl)oxamide N-[3-(4-dimethylaminophenyl)prop…

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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) 2.37 8.95 -12.77 2 7 0 82 434.54 7 ↓

Analogs

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Popular Name: N'-(oxoBLAHyl)-N-(3-thienylmethyl)oxamide N'-(oxoBLAHyl)-N-(3-thienylmethy…

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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) 0.94 5.9 -11.07 2 6 0 79 369.446 4 ↓

Analogs

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Popular Name: N'-(oxoBLAHyl)-N-[2-(3-thienyl)ethyl]oxamide N'-(oxoBLAHyl)-N-[2-(3-thienyl)e…

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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) 1.34 6.68 -12.07 2 6 0 79 383.473 5 ↓

Analogs

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Popular Name: N'-(oxoBLAHyl)-N-[[1-(2-thienyl)cyclopentyl]methyl]oxamide N'-(oxoBLAHyl)-N-[[1-(2-thienyl)…

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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) 2.93 9.39 -11.04 2 6 0 79 437.565 5 ↓

Analogs

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Popular Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(oxoBLAHyl)oxamide N-[2-[4-(4-methoxyphenyl)piperaz…

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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) 1.62 6.24 -14.35 2 9 0 94 491.592 7 ↓

Analogs

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Popular Name: N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(oxoBLAHyl)oxamide N-[[1-(4-fluorophenyl)cyclopropy…

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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) 2.16 9.2 -11.99 2 6 0 79 421.472 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2R)-2-(dimethylamino)-2-(1-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) 0.78 7.67 -46.4 3 8 1 88 424.525 6 ↓
Hi High (pH 8-9.5) 0.78 5.76 -12.58 2 8 0 87 423.517 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(dimethylamino)-2-(1-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) 0.78 7.75 -46.83 3 8 1 88 424.525 6 ↓
Hi High (pH 8-9.5) 0.78 6.08 -13.13 2 8 0 87 423.517 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]-N'-(oxoBLAHyl)oxamide N-[(2R)-2-(1-methylpyrrol-2-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) 1.19 9.34 -45.35 3 8 1 88 450.563 6 ↓
Hi High (pH 8-9.5) 1.19 7.31 -12.31 2 8 0 87 449.555 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(1-methylpyrrol-2-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) 1.19 8.78 -44.04 3 8 1 88 450.563 6 ↓
Hi High (pH 8-9.5) 1.19 6.46 -12.38 2 8 0 87 449.555 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]-N'-(oxoBLAHyl)oxamide N-[(2R)-2-(1-methylpyrrol-2-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) 0.63 6.28 -13.62 2 9 0 96 465.554 6 ↓
Lo Low (pH 4.5-6) 0.63 7.12 -46.08 3 9 1 97 466.562 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(1-methylpyrrol-2-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) 0.63 5.05 -13.54 2 9 0 96 465.554 6 ↓
Lo Low (pH 4.5-6) 0.63 7.17 -46.51 3 9 1 97 466.562 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2R)-2-(4-methylpiperazin-1-y…

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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) 0.67 7.22 -45.33 3 9 1 91 479.605 6 ↓
Mid Mid (pH 6-8) 0.67 6.97 -43.95 3 9 1 91 479.605 6 ↓
Mid Mid (pH 6-8) 0.67 4.85 -12.56 2 9 0 90 478.597 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(4-methylpiperazin-1-y…

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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) 0.67 7.29 -45.91 3 9 1 91 479.605 6 ↓
Mid Mid (pH 6-8) 0.67 4.93 -12.67 2 9 0 90 478.597 6 ↓
Mid Mid (pH 6-8) 0.67 7.04 -44.36 3 9 1 91 479.605 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2R)-2-(azepan-1-yl)-2-(1-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) 2.20 10.12 -43.95 3 8 1 88 478.617 6 ↓
Hi High (pH 8-9.5) 2.20 9.21 -12.19 2 8 0 87 477.609 6 ↓
Hi High (pH 8-9.5) 2.38 9.19 -44.52 2 8 0 94 477.609 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(azepan-1-yl)-2-(1-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) 2.20 10.81 -44.79 3 8 1 88 478.617 6 ↓
Hi High (pH 8-9.5) 2.20 9.18 -12.3 2 8 0 87 477.609 6 ↓
Hi High (pH 8-9.5) 2.38 9.32 -41.61 2 8 0 94 477.609 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2R)-2-(3,4-dihydro-1H-isoqui…

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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 10.67 -13.76 2 8 0 87 511.626 6 ↓
Mid Mid (pH 6-8) 2.17 11.68 -46.89 3 8 1 88 512.634 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(3,4-dihydro-1H-isoqui…

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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 10.53 -14.18 2 8 0 87 511.626 6 ↓
Mid Mid (pH 6-8) 2.17 11.72 -46.78 3 8 1 88 512.634 6 ↓

Analogs

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Popular Name: N'-(oxoBLAHyl)-N-[(4-phenyltetrahydropyran-4-yl)methyl]oxamide N'-(oxoBLAHyl)-N-[(4-phenyltetra…

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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) 2.00 8.04 -11.97 2 7 0 88 447.535 5 ↓

Analogs

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Popular Name: N-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methyl]-N'-(oxoBLAHyl)oxamide N-[[4-(4-methoxyphenyl)tetrahydr…

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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) 2.06 7.34 -13.47 2 8 0 97 477.561 6 ↓

Analogs

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Popular Name: N-[[4-(2-methoxyphenyl)tetrahydropyran-4-yl]methyl]-N'-(oxoBLAHyl)oxamide N-[[4-(2-methoxyphenyl)tetrahydr…

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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) 2.01 7.69 -12.71 2 8 0 97 477.561 6 ↓

Analogs

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Popular Name: N-[[4-(4-fluorophenyl)tetrahydropyran-4-yl]methyl]-N'-(oxoBLAHyl)oxamide N-[[4-(4-fluorophenyl)tetrahydro…

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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 8.11 -13.22 2 7 0 88 465.525 5 ↓

Analogs

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Popular Name: N'-(oxoBLAHyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide N'-(oxoBLAHyl)-N-[3-(4-phenylpip…

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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) 1.84 9.94 -54.28 3 8 1 86 476.601 7 ↓
Mid Mid (pH 6-8) 1.84 7.73 -13.25 2 8 0 85 475.593 7 ↓

Analogs

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Popular Name: N'-(oxoBLAHyl)-N-[[1-(2-thienyl)cyclohexyl]methyl]oxamide N'-(oxoBLAHyl)-N-[[1-(2-thienyl)…

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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) 3.43 9.76 -10.69 2 6 0 79 451.592 5 ↓

Analogs

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Popular Name: N'-(oxoBLAHyl)-N-[[4-(2-thienyl)tetrahydropyran-4-yl]methyl]oxamide N'-(oxoBLAHyl)-N-[[4-(2-thienyl)…

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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) 1.90 7.42 -11.85 2 7 0 88 453.564 5 ↓

Analogs

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Popular Name: N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-N'-(oxoBLAHyl)oxamide N-[[1-(4-methoxyphenyl)cyclopent…

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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 9.94 -12.11 2 7 0 88 461.562 6 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxy-2-(5-methyl-2-furyl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2R)-2-hydroxy-2-(5-methyl-2-…

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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) 0.24 3.48 -13.51 3 8 0 112 397.431 5 ↓

Analogs

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Popular Name: N-[(2S)-2-hydroxy-2-(5-methyl-2-furyl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-hydroxy-2-(5-methyl-2-…

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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) 0.24 3.68 -13.46 3 8 0 112 397.431 5 ↓

Analogs

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Popular Name: N'-[(1-hydroxycyclopentyl)methyl]-N-(oxoBLAHyl)oxamide N'-[(1-hydroxycyclopentyl)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) 0.79 3.64 -11.15 3 7 0 99 371.437 4 ↓

Parameters Provided:

ring.id = 8189
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 = 8189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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