UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11843703
11843703

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Popular Name: 2-(1-cyclohexyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)-N-[(2S)-2,3-dihydroxypropyl]acetamide 2-(1-cyclohexyl-2,6,6-trimethyl-…

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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) 2.14 -4.97 -16.02 3 6 0 92 390.524 6 ↓

Analogs

41704997
41704997
11843702
11843702

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Popular Name: 2-(1-cyclohexyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)-N-[(2R)-2,3-dihydroxypropyl]acetamide 2-(1-cyclohexyl-2,6,6-trimethyl-…

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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) 2.14 -5.03 -16.1 3 6 0 92 390.524 6 ↓

Analogs

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Popular Name: 2-(1-cyclohexyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)-N-(2-methoxyethyl)-N-methyl-acetamide 2-(1-cyclohexyl-2,6,6-trimethyl-…

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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) 3.65 2.01 -14.37 0 5 0 52 388.552 6 ↓

Analogs

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Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 3.35 9.7 -10.2 0 2 0 22 245.366 1 ↓

Analogs

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Popular Name: 1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 3.35 9.53 -9.71 0 2 0 22 245.366 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1R,2R,4R)-2,4-dimethylcycloh…

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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) 3.35 10.35 -9.66 0 2 0 22 245.366 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 3.35 10.14 -9.76 0 2 0 22 245.366 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1R,2S,4S)-2,4-dimethylcycloh…

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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) 4.45 10.75 -11.34 0 2 0 22 287.447 1 ↓

Analogs

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Popular Name: 1-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1S,2S,4S)-2,4-dimethylcycloh…

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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) 4.45 11.43 -9.36 0 2 0 22 287.447 1 ↓

Analogs

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Popular Name: 1-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1R,2S,4R)-2,4-dimethylcycloh…

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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) 4.45 10.98 -10.15 0 2 0 22 287.447 1 ↓

Analogs

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Popular Name: 1-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1S,2S,4R)-2,4-dimethylcycloh…

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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) 4.45 11.11 -9.34 0 2 0 22 287.447 1 ↓

Analogs

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Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 4.23 10.62 -9.64 0 2 0 22 273.42 1 ↓

Analogs

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Popular Name: 1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 4.23 10.46 -9.17 0 2 0 22 273.42 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1R,2R,4R)-2,4-dimethylcycloh…

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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) 4.23 11.27 -9.18 0 2 0 22 273.42 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 4.23 11.06 -9.28 0 2 0 22 273.42 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R,2S,4S)-2,4-dimethylcycloh…

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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) 3.57 9.83 -12.02 0 2 0 22 259.393 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S,2S,4S)-2,4-dimethylcycloh…

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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) 3.57 10.51 -9.88 0 2 0 22 259.393 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R,2S,4R)-2,4-dimethylcycloh…

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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) 3.57 10.05 -10.67 0 2 0 22 259.393 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S,2S,4R)-2,4-dimethylcycloh…

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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) 3.57 10.19 -9.83 0 2 0 22 259.393 1 ↓

Analogs

13108541
13108541

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Popular Name: 1-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R,2S,3S)-2,3-dimethylcycloh…

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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) 3.80 9.96 -10.69 0 2 0 22 259.393 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S,2S,3S)-2,3-dimethylcycloh…

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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) 3.80 10.16 -9.93 0 2 0 22 259.393 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R,2S,3R)-2,3-dimethylcycloh…

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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) 3.80 9.83 -12 0 2 0 22 259.393 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S,2S,3R)-2,3-dimethylcycloh…

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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) 3.80 10.38 -9.86 0 2 0 22 259.393 1 ↓

Analogs

13108541
13108541

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Popular Name: 1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1S,2R,3R)-2,3-dimethylcycloh…

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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 9.41 -9.71 0 2 0 22 245.366 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1S,2R,3S)-2,3-dimethylcycloh…

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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 9.58 -10.16 0 2 0 22 245.366 1 ↓

Analogs

13108541
13108541

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Popular Name: 1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1R,2R,3R)-2,3-dimethylcycloh…

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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 9.99 -9.7 0 2 0 22 245.366 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1R,2R,3S)-2,3-dimethylcycloh…

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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 10.21 -9.73 0 2 0 22 245.366 1 ↓

Analogs

13108541
13108541

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Popular Name: 2-methyl-1-[(1R,2S)-2-methylcyclohexyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R,2S)-2-methylcycl…

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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 9.37 -12.15 0 2 0 22 245.366 1 ↓

Analogs

13108541
13108541

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Popular Name: 2-methyl-1-[(1S,2S)-2-methylcyclohexyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1S,2S)-2-methylcycl…

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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 9.9 -10.05 0 2 0 22 245.366 1 ↓

Analogs

13108541
13108541

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Popular Name: 2-methyl-1-[(1R,2R)-2-methylcyclohexyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R,2R)-2-methylcycl…

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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 9.93 -10.14 0 2 0 22 245.366 1 ↓

Analogs

13108541
13108541

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Popular Name: 2-methyl-1-[(1S,2R)-2-methylcyclohexyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1S,2R)-2-methylcycl…

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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 9.37 -12.11 0 2 0 22 245.366 1 ↓

Analogs

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Popular Name: 1-[(1S,2R)-2-methylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1S,2R)-2-methylcyclohexyl]-6…

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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) 3.34 9.12 -10.23 0 2 0 22 231.339 1 ↓

Analogs

13108541
13108541

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Popular Name: 1-[(1S,2S)-2-methylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1S,2S)-2-methylcyclohexyl]-6…

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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) 3.34 9.74 -9.84 0 2 0 22 231.339 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R)-2-methylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1R,2R)-2-methylcyclohexyl]-6…

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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) 3.34 9.74 -9.85 0 2 0 22 231.339 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S)-2-methylcyclohexyl]-6,7-dihydro-5H-indol-4-one 1-[(1R,2S)-2-methylcyclohexyl]-6…

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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) 3.34 9.12 -10.21 0 2 0 22 231.339 1 ↓

Analogs

1719180
1719180
12385334
12385334

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1S,2R)-2-methylcyclohexyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1S,2R)-2-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) 4.23 10.04 -9.7 0 2 0 22 259.393 1 ↓

Analogs

1719180
1719180
12385334
12385334

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1S,2S)-2-methylcyclohexyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1S,2S)-2-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) 4.23 10.67 -9.33 0 2 0 22 259.393 1 ↓

Analogs

1719180
1719180
12385334
12385334

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1R,2R)-2-methylcyclohexyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1R,2R)-2-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) 4.23 10.66 -9.31 0 2 0 22 259.393 1 ↓

Analogs

1719180
1719180
12385334
12385334

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1R,2S)-2-methylcyclohexyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1R,2S)-2-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) 4.23 10.04 -9.67 0 2 0 22 259.393 1 ↓

Analogs

13108541
13108541

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Popular Name: 2-methyl-1-(4-methylcyclohexyl)-6,7-dihydro-5H-indol-4-one 2-methyl-1-(4-methylcyclohexyl)-…

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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) 3.09 9.69 -10.09 0 2 0 22 245.366 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methylcyclohexyl)-6,7-dihydro-5H-indol-4-one 1-(4-methylcyclohexyl)-6,7-dihyd…

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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) 2.87 8.83 -10.37 0 2 0 22 231.339 1 ↓

Analogs

1719180
1719180
12385334
12385334

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-(4-methylcyclohexyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(4-methylcyclohex…

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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) 3.76 10.41 -9.28 0 2 0 22 259.393 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxycyclohexyl)-2-methyl-6,7-dihydro-5H-indol-4-one 1-(4-hydroxycyclohexyl)-2-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) 1.70 5.89 -11.57 1 3 0 42 247.338 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxycyclohexyl)-6,7-dihydro-5H-indol-4-one 1-(4-hydroxycyclohexyl)-6,7-dihy…

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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 5.69 -12.31 1 3 0 42 233.311 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxycyclohexyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-(4-hydroxycyclohexyl)-2,6,6-tr…

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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) 2.59 6.67 -11.63 1 3 0 42 275.392 1 ↓

Analogs

12193481
12193481
15075814
15075814
12385334
12385334

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one 1-(4-hydroxycyclohexyl)-6,6-dime…

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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 6.46 -11.07 1 3 0 42 261.365 1 ↓

Analogs

52213897
52213897
52213899
52213899
52213902
52213902
52213907
52213907
52299209
52299209

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclohexyl-6,7-dihydro-5H-indol-4-one 1-cyclohexyl-6,7-dihydro-5H-indo…

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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) 3.10 8.88 -10 0 2 0 22 217.312 1 ↓

Analogs

12385334
12385334
2190703
2190703

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclohexyl-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-cyclohexyl-2,6,6-trimethyl-5,7…

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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) 4.21 10.01 -9.72 0 2 0 22 259.393 1 ↓

Analogs

1719180
1719180
12385334
12385334

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclohexyl-6,6-dimethyl-5,7-dihydroindol-4-one 1-cyclohexyl-6,6-dimethyl-5,7-di…

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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) 3.99 9.8 -9.39 0 2 0 22 245.366 1 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1R,3S)-3-methylcyclohexyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R,3S)-3-methylcycl…

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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) 3.33 9.69 -10.11 0 2 0 22 245.366 1 ↓

Parameters Provided:

ring.id = 60696
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 = 60696 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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