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Popular Name: (4R)-1-[(3R)-1,1-dioxothian-3-yl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(3R)-1,1-dioxothian-3-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) 1.54 3.43 -13.75 1 4 0 59 297.42 1 ↓

Analogs

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Popular Name: (4R)-1-[(3S)-1,1-dioxothian-3-yl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(3S)-1,1-dioxothian-3-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) 1.54 3.43 -14.24 1 4 0 59 297.42 1 ↓

Analogs

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Popular Name: (4S)-1-[(3R)-1,1-dioxothian-3-yl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(3R)-1,1-dioxothian-3-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) 1.54 3.42 -14.21 1 4 0 59 297.42 1 ↓

Analogs

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Popular Name: (4S)-1-[(3S)-1,1-dioxothian-3-yl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(3S)-1,1-dioxothian-3-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) 1.54 3.43 -13.76 1 4 0 59 297.42 1 ↓

Analogs

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Popular Name: (4S)-1-[(3R)-1,1-dioxothian-3-yl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(3R)-1,1-dioxothian-3-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) 0.87 2.7 -15.88 1 4 0 59 283.393 1 ↓

Analogs

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Popular Name: (4S)-1-[(3S)-1,1-dioxothian-3-yl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(3S)-1,1-dioxothian-3-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) 0.87 2.69 -16.22 1 4 0 59 283.393 1 ↓

Analogs

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Popular Name: (4R)-1-[(3R)-1,1-dioxothian-3-yl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(3R)-1,1-dioxothian-3-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) 0.87 2.69 -16.16 1 4 0 59 283.393 1 ↓

Analogs

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Popular Name: (4R)-1-[(3S)-1,1-dioxothian-3-yl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(3S)-1,1-dioxothian-3-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) 0.87 2.68 -15.97 1 4 0 59 283.393 1 ↓

Analogs

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Popular Name: (4R)-1-[(3R)-1,1-dioxothian-3-yl]-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(3R)-1,1-dioxothian-3-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) 0.65 2.51 -15.15 1 4 0 59 269.366 1 ↓

Analogs

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Popular Name: (4S)-1-[(3R)-1,1-dioxothian-3-yl]-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(3R)-1,1-dioxothian-3-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) 0.65 2.51 -15.57 1 4 0 59 269.366 1 ↓

Analogs

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Popular Name: (4R)-1-[(3S)-1,1-dioxothian-3-yl]-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(3S)-1,1-dioxothian-3-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) 0.65 2.51 -15.54 1 4 0 59 269.366 1 ↓

Analogs

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Popular Name: (4S)-1-[(3S)-1,1-dioxothian-3-yl]-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(3S)-1,1-dioxothian-3-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) 0.65 2.51 -15.14 1 4 0 59 269.366 1 ↓

Analogs

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Popular Name: (4S)-1-[(3R)-1,1-dioxothian-3-yl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(3R)-1,1-dioxothian-3-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) 1.76 3.64 -13.83 1 4 0 59 311.447 1 ↓

Analogs

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Popular Name: (4S)-1-[(3S)-1,1-dioxothian-3-yl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(3S)-1,1-dioxothian-3-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) 1.76 3.63 -14.26 1 4 0 59 311.447 1 ↓

Analogs

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Popular Name: (4R)-1-[(3R)-1,1-dioxothian-3-yl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(3R)-1,1-dioxothian-3-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) 1.76 3.62 -14.23 1 4 0 59 311.447 1 ↓

Analogs

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Popular Name: (4R)-1-[(3S)-1,1-dioxothian-3-yl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(3S)-1,1-dioxothian-3-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) 1.76 3.62 -13.82 1 4 0 59 311.447 1 ↓

Analogs

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Popular Name: (4S)-1-[(3R)-1,1-dioxothian-3-yl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (4S)-1-[(3R)-1,1-dioxothian-3-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) 0.06 4.16 -50.61 3 4 1 67 311.471 1 ↓
Hi High (pH 8-9.5) 0.06 3.86 -12.21 2 4 0 65 310.463 1 ↓

Analogs

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Popular Name: (4S)-1-[(3S)-1,1-dioxothian-3-yl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (4S)-1-[(3S)-1,1-dioxothian-3-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) 0.06 4.15 -49.24 3 4 1 67 311.471 1 ↓
Hi High (pH 8-9.5) 0.06 3.85 -12.14 2 4 0 65 310.463 1 ↓

Analogs

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Popular Name: (4R)-1-[(3R)-1,1-dioxothian-3-yl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (4R)-1-[(3R)-1,1-dioxothian-3-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) 0.06 4.15 -49.29 3 4 1 67 311.471 1 ↓
Hi High (pH 8-9.5) 0.06 3.84 -13.01 2 4 0 65 310.463 1 ↓

Analogs

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Popular Name: (4R)-1-[(3S)-1,1-dioxothian-3-yl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (4R)-1-[(3S)-1,1-dioxothian-3-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) 0.06 4.14 -50.65 3 4 1 67 311.471 1 ↓
Hi High (pH 8-9.5) 0.06 3.83 -12.8 2 4 0 65 310.463 1 ↓

Analogs

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Popular Name: (4R)-1-[(3R)-1,1-dioxothian-3-yl]-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(3R)-1,1-dioxothian-3-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) -1.05 3.09 -49.93 3 4 1 67 269.39 1 ↓
Hi High (pH 8-9.5) -1.05 2.78 -12.87 2 4 0 65 268.382 1 ↓

Analogs

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Popular Name: (4S)-1-[(3R)-1,1-dioxothian-3-yl]-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(3R)-1,1-dioxothian-3-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) -1.05 3.09 -49.11 3 4 1 67 269.39 1 ↓
Hi High (pH 8-9.5) -1.05 2.78 -13.44 2 4 0 65 268.382 1 ↓

Analogs

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Popular Name: (4R)-1-[(3S)-1,1-dioxothian-3-yl]-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(3S)-1,1-dioxothian-3-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) -1.05 3.08 -49.11 3 4 1 67 269.39 1 ↓
Hi High (pH 8-9.5) -1.05 2.77 -12.83 2 4 0 65 268.382 1 ↓

Analogs

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Popular Name: (4S)-1-[(3S)-1,1-dioxothian-3-yl]-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(3S)-1,1-dioxothian-3-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) -1.05 3.09 -49.95 3 4 1 67 269.39 1 ↓
Hi High (pH 8-9.5) -1.05 2.78 -13.19 2 4 0 65 268.382 1 ↓

Analogs

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Popular Name: (4R)-1-[(3R)-1,1-dioxothian-3-yl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (4R)-1-[(3R)-1,1-dioxothian-3-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) -0.16 3.94 -50.8 3 4 1 67 297.444 1 ↓
Hi High (pH 8-9.5) -0.16 3.63 -12.7 2 4 0 65 296.436 1 ↓

Analogs

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Popular Name: (4R)-1-[(3S)-1,1-dioxothian-3-yl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (4R)-1-[(3S)-1,1-dioxothian-3-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) -0.16 3.95 -49.72 3 4 1 67 297.444 1 ↓
Hi High (pH 8-9.5) -0.16 3.64 -13.02 2 4 0 65 296.436 1 ↓

Analogs

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Popular Name: (4S)-1-[(3R)-1,1-dioxothian-3-yl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (4S)-1-[(3R)-1,1-dioxothian-3-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) -0.16 3.95 -49.74 3 4 1 67 297.444 1 ↓
Hi High (pH 8-9.5) -0.16 3.65 -12.11 2 4 0 65 296.436 1 ↓

Analogs

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Popular Name: (4S)-1-[(3S)-1,1-dioxothian-3-yl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (4S)-1-[(3S)-1,1-dioxothian-3-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) -0.16 3.95 -50.79 3 4 1 67 297.444 1 ↓
Hi High (pH 8-9.5) -0.16 3.65 -12.08 2 4 0 65 296.436 1 ↓

Analogs

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Popular Name: (4S)-1-[(3R)-1,1-dioxothian-3-yl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(3R)-1,1-dioxothian-3-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) -0.83 3.29 -50.31 3 4 1 67 283.417 1 ↓
Hi High (pH 8-9.5) -0.83 2.98 -13.3 2 4 0 65 282.409 1 ↓

Analogs

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Popular Name: (4S)-1-[(3S)-1,1-dioxothian-3-yl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(3S)-1,1-dioxothian-3-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) -0.83 3.29 -49.26 3 4 1 67 283.417 1 ↓
Hi High (pH 8-9.5) -0.83 2.98 -13.59 2 4 0 65 282.409 1 ↓

Analogs

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Popular Name: (4R)-1-[(3R)-1,1-dioxothian-3-yl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(3R)-1,1-dioxothian-3-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) -0.83 3.28 -49.3 3 4 1 67 283.417 1 ↓
Hi High (pH 8-9.5) -0.83 2.95 -13.19 2 4 0 65 282.409 1 ↓

Analogs

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Popular Name: (4R)-1-[(3S)-1,1-dioxothian-3-yl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(3S)-1,1-dioxothian-3-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) -0.83 3.28 -50.35 3 4 1 67 283.417 1 ↓
Hi High (pH 8-9.5) -0.83 2.95 -13.39 2 4 0 65 282.409 1 ↓

Parameters Provided:

ring.id = 290634
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 = 290634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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