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Analogs

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Popular Name: (4S)-1-[(1S)-1-cyclohexylethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1S)-1-cyclohexylethyl]-…

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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) 3.73 8.12 -6.4 1 2 0 25 261.409 2 ↓

Analogs

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Popular Name: (4S)-1-[(1R)-1-cyclohexylethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1R)-1-cyclohexylethyl]-…

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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) 3.73 8.25 -6.25 1 2 0 25 261.409 2 ↓

Analogs

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Popular Name: (4R)-1-[(1S)-1-cyclohexylethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1S)-1-cyclohexylethyl]-…

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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) 3.73 8.04 -6.32 1 2 0 25 261.409 2 ↓

Analogs

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Popular Name: (4R)-1-[(1R)-1-cyclohexylethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1R)-1-cyclohexylethyl]-…

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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) 3.73 8.09 -6.43 1 2 0 25 261.409 2 ↓

Analogs

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Popular Name: (4S)-1-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1S)-1-cyclohexylethyl]-…

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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) 3.51 7.94 -5.84 1 2 0 25 247.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1R)-1-cyclohexylethyl]-…

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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) 3.51 7.94 -6.03 1 2 0 25 247.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1S)-1-cyclohexylethyl]-…

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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) 3.51 7.93 -6.01 1 2 0 25 247.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1R)-1-cyclohexylethyl]-…

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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) 3.51 7.93 -5.9 1 2 0 25 247.382 2 ↓

Analogs

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Popular Name: (4S)-1-[(1S)-1-cyclohexylpropyl]-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1S)-1-cyclohexylpropyl]…

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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) 4.01 8.91 -5.62 1 2 0 25 261.409 3 ↓

Analogs

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Popular Name: (4S)-1-[(1R)-1-cyclohexylpropyl]-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1R)-1-cyclohexylpropyl]…

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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) 4.01 8.89 -5.8 1 2 0 25 261.409 3 ↓

Analogs

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Popular Name: (4R)-1-[(1S)-1-cyclohexylpropyl]-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1S)-1-cyclohexylpropyl]…

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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) 4.01 8.9 -5.77 1 2 0 25 261.409 3 ↓

Analogs

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Popular Name: (4R)-1-[(1R)-1-cyclohexylpropyl]-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1R)-1-cyclohexylpropyl]…

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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) 4.01 8.88 -5.69 1 2 0 25 261.409 3 ↓

Analogs

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Popular Name: (4S)-1-[(1S)-1-cyclohexylethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(1S)-1-cyclohexylethyl]-…

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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) 2.03 8.71 -37.95 3 2 1 33 261.433 2 ↓
Hi High (pH 8-9.5) 2.03 8.4 -3.95 2 2 0 31 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(1R)-1-cyclohexylethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(1R)-1-cyclohexylethyl]-…

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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) 2.03 8.84 -37.78 3 2 1 33 261.433 2 ↓
Hi High (pH 8-9.5) 2.03 8.53 -3.82 2 2 0 31 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1S)-1-cyclohexylethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(1S)-1-cyclohexylethyl]-…

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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) 2.03 8.63 -37.91 3 2 1 33 261.433 2 ↓
Hi High (pH 8-9.5) 2.03 8.31 -3.69 2 2 0 31 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1R)-1-cyclohexylethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(1R)-1-cyclohexylethyl]-…

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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) 2.03 8.68 -38.04 3 2 1 33 261.433 2 ↓
Hi High (pH 8-9.5) 2.03 8.35 -3.59 2 2 0 31 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(1S)-1-cyclohexylethyl]-…

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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) 1.81 8.53 -37.72 3 2 1 33 247.406 2 ↓
Hi High (pH 8-9.5) 1.81 8.22 -3.51 2 2 0 31 246.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(1R)-1-cyclohexylethyl]-…

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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) 1.81 8.53 -37.87 3 2 1 33 247.406 2 ↓
Hi High (pH 8-9.5) 1.81 8.22 -3.59 2 2 0 31 246.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(1S)-1-cyclohexylethyl]-…

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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) 1.81 8.52 -37.83 3 2 1 33 247.406 2 ↓
Hi High (pH 8-9.5) 1.81 8.2 -3.17 2 2 0 31 246.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(1R)-1-cyclohexylethyl]-…

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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) 1.81 8.52 -37.71 3 2 1 33 247.406 2 ↓
Hi High (pH 8-9.5) 1.81 8.2 -3.28 2 2 0 31 246.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(1S)-1-cyclohexylpropyl]-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(1S)-1-cyclohexylpropyl]…

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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 9.5 -37.45 3 2 1 33 261.433 3 ↓
Hi High (pH 8-9.5) 2.31 9.19 -3.3 2 2 0 31 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(1R)-1-cyclohexylpropyl]-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(1R)-1-cyclohexylpropyl]…

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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 9.48 -37.56 3 2 1 33 261.433 3 ↓
Hi High (pH 8-9.5) 2.31 9.16 -3.36 2 2 0 31 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1S)-1-cyclohexylpropyl]-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(1S)-1-cyclohexylpropyl]…

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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 9.49 -37.55 3 2 1 33 261.433 3 ↓
Hi High (pH 8-9.5) 2.31 9.17 -3.02 2 2 0 31 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1R)-1-cyclohexylpropyl]-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(1R)-1-cyclohexylpropyl]…

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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 9.46 -37.48 3 2 1 33 261.433 3 ↓
Hi High (pH 8-9.5) 2.31 9.15 -3.02 2 2 0 31 260.425 3 ↓

Parameters Provided:

ring.id = 221927
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 221927 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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