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Analogs

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Popular Name: (2R)-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(3-chlorophenyl)pip…

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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) 5.16 13.28 -62.51 2 5 1 40 462.017 6 ↓
Mid Mid (pH 6-8) 5.16 11.05 -12.81 1 5 0 39 461.009 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(3-chlorophenyl)pip…

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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) 5.16 14.61 -58.95 2 5 1 40 462.017 6 ↓
Mid Mid (pH 6-8) 5.16 12.38 -13.4 1 5 0 39 461.009 6 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(4-aminophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(4-aminophenyl)pipe…

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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) 3.58 10.63 -59.45 4 6 1 66 442.587 6 ↓
Hi High (pH 8-9.5) 3.58 8.4 -13.14 3 6 0 65 441.579 6 ↓
Lo Low (pH 4.5-6) 3.58 10.5 -113.51 5 6 2 68 443.595 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(4-aminophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(4-aminophenyl)pipe…

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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) 3.58 11.95 -56.34 4 6 1 66 442.587 6 ↓
Hi High (pH 8-9.5) 3.58 9.75 -13.69 3 6 0 65 441.579 6 ↓
Lo Low (pH 4.5-6) 3.58 11.82 -108.38 5 6 2 68 443.595 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(3-methoxyphenyl)pi…

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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) 4.54 13.38 -58.06 2 6 1 49 457.598 7 ↓
Mid Mid (pH 6-8) 4.54 11.18 -14.79 1 6 0 48 456.59 7 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(3-methoxyphenyl)pi…

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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) 4.54 12.07 -61.49 2 6 1 49 457.598 7 ↓
Mid Mid (pH 6-8) 4.54 9.83 -14.09 1 6 0 48 456.59 7 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(4-methoxyphenyl)pi…

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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) 4.56 13.39 -59.47 2 6 1 49 457.598 7 ↓
Mid Mid (pH 6-8) 4.56 11.18 -14.42 1 6 0 48 456.59 7 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(4-methoxyphenyl)pi…

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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) 4.56 12.05 -62.69 2 6 1 49 457.598 7 ↓
Mid Mid (pH 6-8) 4.56 9.83 -14.14 1 6 0 48 456.59 7 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(3-hydroxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(3-hydroxyphenyl)pi…

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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) 4.00 9.91 -62.88 3 6 1 60 443.571 6 ↓
Mid Mid (pH 6-8) 4.00 7.69 -14.52 2 6 0 59 442.563 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(3-hydroxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(3-hydroxyphenyl)pi…

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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) 4.00 11.23 -59.72 3 6 1 60 443.571 6 ↓
Mid Mid (pH 6-8) 4.00 9.03 -14.74 2 6 0 59 442.563 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(4-hydroxyphenyl)pi…

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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) 4.03 9.91 -63.4 3 6 1 60 443.571 6 ↓
Mid Mid (pH 6-8) 4.03 7.67 -14.43 2 6 0 59 442.563 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(4-hydroxyphenyl)pi…

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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) 4.03 11.23 -60.03 3 6 1 60 443.571 6 ↓
Mid Mid (pH 6-8) 4.03 9.02 -14.71 2 6 0 59 442.563 6 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(3-aminophenyl)pipe…

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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 10.64 -60.5 4 6 1 66 442.587 6 ↓
Mid Mid (pH 6-8) 3.56 8.43 -13.44 3 6 0 65 441.579 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(3-aminophenyl)pipe…

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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 11.97 -57.17 4 6 1 66 442.587 6 ↓
Mid Mid (pH 6-8) 3.56 9.76 -13.71 3 6 0 65 441.579 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(o-tolyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(o-tolyl)piperazin-…

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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) 4.91 15.45 -55.77 2 5 1 40 441.599 6 ↓
Mid Mid (pH 6-8) 4.91 13.21 -12.26 1 5 0 39 440.591 6 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(o-tolyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(o-tolyl)piperazin-…

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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) 4.91 14.08 -57.62 2 5 1 40 441.599 6 ↓
Mid Mid (pH 6-8) 4.91 11.84 -11.66 1 5 0 39 440.591 6 ↓

Analogs

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Popular Name: (2R)-2-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroquinazolin-4-one (2R)-2-phenyl-1-[3-(4-phenylpipe…

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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) 4.50 12.77 -60.24 2 5 1 40 427.572 6 ↓
Mid Mid (pH 6-8) 4.50 10.54 -12.66 1 5 0 39 426.564 6 ↓

Analogs

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Popular Name: (2S)-2-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroquinazolin-4-one (2S)-2-phenyl-1-[3-(4-phenylpipe…

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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) 4.50 14.09 -57.07 2 5 1 40 427.572 6 ↓
Mid Mid (pH 6-8) 4.50 11.88 -13.12 1 5 0 39 426.564 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(m-tolyl)piperazin-…

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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) 4.93 14.75 -57 2 5 1 40 441.599 6 ↓
Mid Mid (pH 6-8) 4.93 12.55 -12.94 1 5 0 39 440.591 6 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(m-tolyl)piperazin-…

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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) 4.93 13.44 -60.27 2 5 1 40 441.599 6 ↓
Mid Mid (pH 6-8) 4.93 11.2 -12.8 1 5 0 39 440.591 6 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(4-chlorophenyl)pip…

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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) 5.18 13.29 -63.54 2 5 1 40 462.017 6 ↓
Mid Mid (pH 6-8) 5.18 11.06 -12.91 1 5 0 39 461.009 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(4-chlorophenyl)pip…

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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) 5.18 14.61 -60.1 2 5 1 40 462.017 6 ↓
Mid Mid (pH 6-8) 5.18 12.4 -13.22 1 5 0 39 461.009 6 ↓

Analogs

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Popular Name: (2S)-2-phenyl-1-[3-[4-(p-tolyl)piperazin-1-yl]propyl]-2,3-dihydroquinazolin-4-one (2S)-2-phenyl-1-[3-[4-(p-tolyl)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) 4.95 14.78 -56.82 2 5 1 40 441.599 6 ↓
Mid Mid (pH 6-8) 4.95 12.57 -13.1 1 5 0 39 440.591 6 ↓

Analogs

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Popular Name: (2R)-2-phenyl-1-[3-[4-(p-tolyl)piperazin-1-yl]propyl]-2,3-dihydroquinazolin-4-one (2R)-2-phenyl-1-[3-[4-(p-tolyl)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) 4.95 13.45 -60.03 2 5 1 40 441.599 6 ↓
Mid Mid (pH 6-8) 4.95 11.21 -12.63 1 5 0 39 440.591 6 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(2-aminophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(2-aminophenyl)pipe…

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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 11.56 -59.48 4 6 1 66 442.587 6 ↓
Mid Mid (pH 6-8) 3.94 9.36 -12.06 3 6 0 65 441.579 6 ↓
Lo Low (pH 4.5-6) 3.94 11.4 -139.33 5 6 2 68 443.595 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(2-aminophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(2-aminophenyl)pipe…

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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 12.89 -56.49 4 6 1 66 442.587 6 ↓
Mid Mid (pH 6-8) 3.94 10.69 -12.76 3 6 0 65 441.579 6 ↓
Lo Low (pH 4.5-6) 3.94 12.73 -132.55 5 6 2 68 443.595 6 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(2-hydroxyphenyl)pi…

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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 10.42 -57.86 3 6 1 60 443.571 6 ↓
Mid Mid (pH 6-8) 4.24 8.19 -13.1 2 6 0 59 442.563 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(2-hydroxyphenyl)pi…

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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 11.74 -54.33 3 6 1 60 443.571 6 ↓
Mid Mid (pH 6-8) 4.24 9.53 -13.43 2 6 0 59 442.563 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(2-methoxyphenyl)pi…

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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) 4.51 13.91 -52.2 2 6 1 49 457.598 7 ↓
Mid Mid (pH 6-8) 4.51 11.7 -13.45 1 6 0 48 456.59 7 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(2-methoxyphenyl)pi…

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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) 4.51 12.55 -53.97 2 6 1 49 457.598 7 ↓
Mid Mid (pH 6-8) 4.51 10.32 -12.85 1 6 0 48 456.59 7 ↓

Analogs

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Popular Name: (2R)-1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(2-chlorophenyl)pip…

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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) 5.13 13.89 -54.52 2 5 1 40 462.017 6 ↓
Mid Mid (pH 6-8) 5.13 11.67 -11.52 1 5 0 39 461.009 6 ↓

Analogs

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Popular Name: (2S)-1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[3-[4-(2-chlorophenyl)pip…

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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) 5.13 15.21 -51.48 2 5 1 40 462.017 6 ↓
Mid Mid (pH 6-8) 5.13 13 -12.11 1 5 0 39 461.009 6 ↓

Parameters Provided:

ring.id = 197357
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 = 197357 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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