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Analogs

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Popular Name: [4-chloro-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]phenyl]methanamine [4-chloro-2-[(2R)-2-methyl-1,4-o…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 5.66 -49.02 3 3 1 40 255.769 2 ↓

Analogs

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Popular Name: [4-chloro-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]phenyl]methanamine [4-chloro-2-[(2S)-2-methyl-1,4-o…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 5.73 -49 3 3 1 40 255.769 2 ↓

Analogs

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Popular Name: [4-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanamine [4-chloro-2-(1,4-oxazepan-4-yl)p…

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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) 1.95 4.92 -48.43 3 3 1 40 241.742 2 ↓

Analogs

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Popular Name: 4-chloro-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzoic 4-chloro-2-[(2R)-2-methyl-1,4-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) 3.22 8.58 -45.93 0 4 -1 53 268.72 2 ↓

Analogs

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Popular Name: 4-chloro-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzoic 4-chloro-2-[(2S)-2-methyl-1,4-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) 3.22 8.62 -46.06 0 4 -1 53 268.72 2 ↓

Analogs

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Popular Name: 4-chloro-2-(1,4-oxazepan-4-yl)benzoic 4-chloro-2-(1,4-oxazepan-4-yl)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) 2.85 7.84 -45.82 0 4 -1 53 254.693 2 ↓

Analogs

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Popular Name: 4-chloro-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzenecarbothioamide 4-chloro-2-[(2R)-2-methyl-1,4-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) 2.92 6.88 -9.61 2 3 0 38 284.812 2 ↓

Analogs

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Popular Name: 4-chloro-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzenecarbothioamide 4-chloro-2-[(2S)-2-methyl-1,4-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) 2.92 6.99 -9.68 2 3 0 38 284.812 2 ↓

Analogs

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Popular Name: 4-chloro-2-(1,4-oxazepan-4-yl)benzenecarbothioamide 4-chloro-2-(1,4-oxazepan-4-yl)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) 2.56 6.16 -9.54 2 3 0 38 270.785 2 ↓

Analogs

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Popular Name: 4-chloro-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzamidine 4-chloro-2-[(2R)-2-methyl-1,4-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) 1.51 5.35 -35.35 4 4 1 64 268.768 2 ↓
Hi High (pH 8-9.5) 1.51 6.37 -4.35 3 4 0 62 267.76 2 ↓

Analogs

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Popular Name: 4-chloro-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzamidine 4-chloro-2-[(2S)-2-methyl-1,4-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) 1.51 5.44 -35.49 4 4 1 64 268.768 2 ↓
Hi High (pH 8-9.5) 1.51 6.38 -4.31 3 4 0 62 267.76 2 ↓

Analogs

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Popular Name: 4-chloro-2-(1,4-oxazepan-4-yl)benzamidine 4-chloro-2-(1,4-oxazepan-4-yl)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) 1.15 4.61 -34.97 4 4 1 64 254.741 2 ↓
Hi High (pH 8-9.5) 1.15 5.63 -4.28 3 4 0 62 253.733 2 ↓

Analogs

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Popular Name: 4-chloro-N'-hydroxy-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzamidine 4-chloro-N'-hydroxy-2-[(2R)-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) 1.44 5.32 -5.27 3 5 0 71 283.759 2 ↓
Lo Low (pH 4.5-6) 1.44 4.34 -33.16 4 5 1 73 284.767 2 ↓

Analogs

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Popular Name: 4-chloro-N'-hydroxy-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzamidine 4-chloro-N'-hydroxy-2-[(2S)-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) 1.44 5.34 -5.28 3 5 0 71 283.759 2 ↓
Lo Low (pH 4.5-6) 1.44 4.42 -33 4 5 1 73 284.767 2 ↓

Analogs

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Popular Name: 4-chloro-N'-hydroxy-2-(1,4-oxazepan-4-yl)benzamidine 4-chloro-N'-hydroxy-2-(1,4-oxaze…

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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) 1.08 3.61 -5.6 3 5 0 71 269.732 2 ↓
Lo Low (pH 4.5-6) 1.08 3.48 -35.79 4 5 1 73 270.74 2 ↓

Analogs

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Popular Name: 4-chloro-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzonitrile 4-chloro-2-[(2R)-2-methyl-1,4-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) 2.88 8.09 -5.08 0 3 0 36 250.729 1 ↓

Analogs

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Popular Name: 4-chloro-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzonitrile 4-chloro-2-[(2S)-2-methyl-1,4-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) 2.88 8.1 -5.13 0 3 0 36 250.729 1 ↓

Analogs

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Popular Name: 4-chloro-2-(1,4-oxazepan-4-yl)benzonitrile 4-chloro-2-(1,4-oxazepan-4-yl)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) 2.52 7.34 -5.18 0 3 0 36 236.702 1 ↓

Analogs

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Popular Name: [3-chloro-4-[(2R)-2-methyl-1,4-oxazepan-4-yl]phenyl]methanamine [3-chloro-4-[(2R)-2-methyl-1,4-o…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 5.73 -48.5 3 3 1 40 255.769 2 ↓
Hi High (pH 8-9.5) 2.31 5.32 -2.79 2 3 0 38 254.761 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-chloro-4-[(2S)-2-methyl-1,4-oxazepan-4-yl]phenyl]methanamine [3-chloro-4-[(2S)-2-methyl-1,4-o…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 5.73 -48.45 3 3 1 40 255.769 2 ↓
Hi High (pH 8-9.5) 2.31 5.33 -2.83 2 3 0 38 254.761 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-chloro-4-(1,4-oxazepan-4-yl)phenyl]methanamine [3-chloro-4-(1,4-oxazepan-4-yl)p…

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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) 1.95 4.97 -48.39 3 3 1 40 241.742 2 ↓
Hi High (pH 8-9.5) 1.95 4.57 -3.25 2 3 0 38 240.734 2 ↓

Analogs

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Popular Name: 3-chloro-4-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzonitrile 3-chloro-4-[(2R)-2-methyl-1,4-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) 2.88 8.1 -4.89 0 3 0 36 250.729 1 ↓

Analogs

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Popular Name: 3-chloro-4-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzonitrile 3-chloro-4-[(2S)-2-methyl-1,4-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) 2.88 8.11 -4.93 0 3 0 36 250.729 1 ↓

Analogs

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Popular Name: 3-chloro-4-(1,4-oxazepan-4-yl)benzonitrile 3-chloro-4-(1,4-oxazepan-4-yl)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) 2.52 7.35 -5.01 0 3 0 36 236.702 1 ↓

Analogs

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Popular Name: 3-chloro-4-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzamidine 3-chloro-4-[(2R)-2-methyl-1,4-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) 1.51 5.59 -35.81 4 4 1 64 268.768 2 ↓

Analogs

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Popular Name: 3-chloro-4-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzamidine 3-chloro-4-[(2S)-2-methyl-1,4-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) 1.51 5.59 -35.89 4 4 1 64 268.768 2 ↓

Analogs

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Popular Name: 3-chloro-4-(1,4-oxazepan-4-yl)benzamidine 3-chloro-4-(1,4-oxazepan-4-yl)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) 1.15 4.83 -35.69 4 4 1 64 254.741 2 ↓

Analogs

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Popular Name: 3-chloro-N'-hydroxy-4-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzamidine 3-chloro-N'-hydroxy-4-[(2R)-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) 1.44 4.59 -5.3 3 5 0 71 283.759 2 ↓
Lo Low (pH 4.5-6) 1.44 4.42 -34.23 4 5 1 73 284.767 2 ↓

Analogs

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Popular Name: 3-chloro-N'-hydroxy-4-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzamidine 3-chloro-N'-hydroxy-4-[(2S)-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) 1.44 4.6 -5.28 3 5 0 71 283.759 2 ↓
Lo Low (pH 4.5-6) 1.44 4.43 -34.18 4 5 1 73 284.767 2 ↓

Analogs

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Popular Name: 3-chloro-N'-hydroxy-4-(1,4-oxazepan-4-yl)benzamidine 3-chloro-N'-hydroxy-4-(1,4-oxaze…

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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) 1.08 3.62 -7.5 3 5 0 71 269.732 2 ↓
Lo Low (pH 4.5-6) 1.08 3.57 -36.75 4 5 1 73 270.74 2 ↓

Analogs

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Popular Name: 3-chloro-4-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzenecarbothioamide 3-chloro-4-[(2R)-2-methyl-1,4-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) 2.92 6.92 -10.03 2 3 0 38 284.812 2 ↓

Analogs

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Popular Name: 3-chloro-4-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzenecarbothioamide 3-chloro-4-[(2S)-2-methyl-1,4-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) 2.92 6.93 -10.13 2 3 0 38 284.812 2 ↓

Analogs

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Popular Name: 3-chloro-4-(1,4-oxazepan-4-yl)benzenecarbothioamide 3-chloro-4-(1,4-oxazepan-4-yl)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) 2.56 6.17 -10.12 2 3 0 38 270.785 2 ↓

Analogs

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Popular Name: 3-chloro-4-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzoic 3-chloro-4-[(2R)-2-methyl-1,4-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) 3.04 8.25 -44.31 0 4 -1 53 268.72 2 ↓

Analogs

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Popular Name: 3-chloro-4-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzoic 3-chloro-4-[(2S)-2-methyl-1,4-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) 3.04 8.26 -44.34 0 4 -1 53 268.72 2 ↓

Analogs

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Popular Name: 3-chloro-4-(1,4-oxazepan-4-yl)benzoic 3-chloro-4-(1,4-oxazepan-4-yl)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) 2.67 7.51 -44.49 0 4 -1 53 254.693 2 ↓

Analogs

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Popular Name: 4-amino-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]benzoic 4-amino-2-[(2R)-2-methyl-1,4-oxa…

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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 5.93 -54.65 2 5 -1 79 249.29 2 ↓
Lo Low (pH 4.5-6) 1.62 3.94 -7.7 3 5 0 76 250.298 2 ↓

Analogs

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Popular Name: 4-amino-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzoic 4-amino-2-[(2S)-2-methyl-1,4-oxa…

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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 5.98 -54.84 2 5 -1 79 249.29 2 ↓
Lo Low (pH 4.5-6) 1.62 4 -7.76 3 5 0 76 250.298 2 ↓

Analogs

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Popular Name: 4-amino-2-(1,4-oxazepan-4-yl)benzoic 4-amino-2-(1,4-oxazepan-4-yl)ben…

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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) 1.25 5.2 -54.5 2 5 -1 79 235.263 2 ↓
Lo Low (pH 4.5-6) 1.25 3.21 -7.76 3 5 0 76 236.271 2 ↓

Parameters Provided:

ring.id = 272198
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 = 272198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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