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Popular Name: 1-cyclohexyl-N-(2-ethylhexyl)-5-oxo-pyrrolidine-3-carboxamide 1-cyclohexyl-N-(2-ethylhexyl)-5-…

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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) 4.37 8.85 -10.23 1 4 0 49 322.493 8 ↓

Analogs

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Popular Name: 1-cyclohexyl-N-(2-ethylhexyl)-5-oxo-pyrrolidine-3-carboxamide 1-cyclohexyl-N-(2-ethylhexyl)-5-…

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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) 4.37 8.94 -13.34 1 4 0 49 322.493 8 ↓

Analogs

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Popular Name: 1-cyclohexyl-N-(2-ethylhexyl)-5-oxo-pyrrolidine-3-carboxamide 1-cyclohexyl-N-(2-ethylhexyl)-5-…

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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) 4.37 8.99 -10.17 1 4 0 49 322.493 8 ↓

Analogs

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Popular Name: 1-cyclohexyl-N-(2-ethylhexyl)-5-oxo-pyrrolidine-3-carboxamide 1-cyclohexyl-N-(2-ethylhexyl)-5-…

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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) 4.37 9.06 -13.21 1 4 0 49 322.493 8 ↓

Analogs

1063331
1063331

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Popular Name: 1-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid 1-(2-methylcyclohexyl)-5-oxopyrr…

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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) 1.56 6.49 -42.38 0 4 -1 60 224.28 2 ↓
Lo Low (pH 4.5-6) 1.56 4.49 -8.5 1 4 0 58 225.288 2 ↓

Analogs

1063331
1063331

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Popular Name: 1-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid 1-(2-methylcyclohexyl)-5-oxopyrr…

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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) 1.56 7.27 -42.39 0 4 -1 60 224.28 2 ↓
Lo Low (pH 4.5-6) 1.56 5.27 -9.54 1 4 0 58 225.288 2 ↓

Analogs

1063331
1063331

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Popular Name: 1-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid 1-(2-methylcyclohexyl)-5-oxopyrr…

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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) 1.56 7.27 -42.48 0 4 -1 60 224.28 2 ↓
Lo Low (pH 4.5-6) 1.56 5.27 -9.51 1 4 0 58 225.288 2 ↓

Analogs

1063331
1063331

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Popular Name: 1-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid 1-(2-methylcyclohexyl)-5-oxopyrr…

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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) 1.56 6.71 -39.61 0 4 -1 60 224.28 2 ↓
Lo Low (pH 4.5-6) 1.56 4.71 -7.3 1 4 0 58 225.288 2 ↓

Analogs

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Popular Name: (3R)-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-1-(4-methylcyclohexyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(3-amino-2,2-dimethyl-3-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) 0.84 3.48 -19.16 3 6 0 93 323.437 5 ↓

Analogs

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Popular Name: (3S)-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-1-(4-methylcyclohexyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(3-amino-2,2-dimethyl-3-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) 0.84 3.51 -23.22 3 6 0 93 323.437 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.19 6.28 -10.96 1 6 0 76 310.394 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.19 6.34 -13.29 1 6 0 76 310.394 6 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-cyanopropyl]-1-(4-methylcyclohexyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[(1S)-1-cyanopropyl]-1-(4…

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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) 1.60 6.67 -15.72 1 5 0 73 291.395 4 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-cyanopropyl]-1-(4-methylcyclohexyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[(1R)-1-cyanopropyl]-1-(4…

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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) 1.60 6.67 -14.38 1 5 0 73 291.395 4 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-1-cyanopropyl]-1-(4-methylcyclohexyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[(1S)-1-cyanopropyl]-1-(4…

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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) 1.60 6.75 -16.26 1 5 0 73 291.395 4 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-1-cyanopropyl]-1-(4-methylcyclohexyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[(1R)-1-cyanopropyl]-1-(4…

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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) 1.60 6.75 -19.93 1 5 0 73 291.395 4 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (3S)-3-amino-1-[(1S,2R,4R)-2,4-d…

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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) 0.81 3.52 -5.9 2 3 0 46 210.321 1 ↓
Mid Mid (pH 6-8) 0.81 3.83 -48.85 3 3 1 48 211.329 1 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (3S)-3-amino-1-[(1S,2R,4S)-2,4-d…

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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) 0.81 3.32 -7.21 2 3 0 46 210.321 1 ↓
Mid Mid (pH 6-8) 0.81 3.64 -48.14 3 3 1 48 211.329 1 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (3S)-3-amino-1-[(1R,2R,4R)-2,4-d…

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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) 0.81 4.27 -6.88 2 3 0 46 210.321 1 ↓
Mid Mid (pH 6-8) 0.81 4.58 -47.32 3 3 1 48 211.329 1 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (3S)-3-amino-1-[(1R,2R,4S)-2,4-d…

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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) 0.81 4.06 -6.24 2 3 0 46 210.321 1 ↓
Mid Mid (pH 6-8) 0.81 4.36 -46.89 3 3 1 48 211.329 1 ↓

Analogs

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Popular Name: (4R)-4-amino-1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (4R)-4-amino-1-[(1S,2R,4R)-2,4-d…

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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) 0.81 3.86 -59.36 3 3 1 48 211.329 1 ↓
Hi High (pH 8-9.5) 0.81 3.57 -5.9 2 3 0 46 210.321 1 ↓

Analogs

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Popular Name: (4R)-4-amino-1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (4R)-4-amino-1-[(1S,2R,4S)-2,4-d…

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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) 0.81 3.66 -59.52 3 3 1 48 211.329 1 ↓
Hi High (pH 8-9.5) 0.81 3.38 -7.16 2 3 0 46 210.321 1 ↓

Analogs

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Popular Name: (4R)-4-amino-1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (4R)-4-amino-1-[(1R,2R,4R)-2,4-d…

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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) 0.81 4.61 -57.76 3 3 1 48 211.329 1 ↓
Hi High (pH 8-9.5) 0.81 4.32 -6.91 2 3 0 46 210.321 1 ↓

Analogs

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Popular Name: (4R)-4-amino-1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (4R)-4-amino-1-[(1R,2R,4S)-2,4-d…

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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) 0.81 4.4 -56.84 3 3 1 48 211.329 1 ↓
Hi High (pH 8-9.5) 0.81 4.11 -6.36 2 3 0 46 210.321 1 ↓

Analogs

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Popular Name: (3S)-3-bromo-1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (3S)-3-bromo-1-[(1S,2R,4R)-2,4-d…

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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 7.19 -6.73 0 2 0 20 274.202 1 ↓

Analogs

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Popular Name: (3S)-3-bromo-1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (3S)-3-bromo-1-[(1S,2R,4S)-2,4-d…

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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 6.99 -7.72 0 2 0 20 274.202 1 ↓

Analogs

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Popular Name: (3S)-3-bromo-1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (3S)-3-bromo-1-[(1R,2R,4R)-2,4-d…

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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 7.94 -7.66 0 2 0 20 274.202 1 ↓

Analogs

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Popular Name: (3S)-3-bromo-1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]pyrrolidin-2-one (3S)-3-bromo-1-[(1R,2R,4S)-2,4-d…

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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 7.73 -7.09 0 2 0 20 274.202 1 ↓

Analogs

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Popular Name: (3R)-N-[2-[isopropyl(methyl)amino]ethyl]-1-(4-methylcyclohexyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[2-[isopropyl(methyl)amin…

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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) 1.65 7.7 -45.53 2 5 1 54 324.489 6 ↓
Hi High (pH 8-9.5) 1.65 5.43 -10.95 1 5 0 53 323.481 6 ↓

Analogs

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Popular Name: (3S)-N-[2-[isopropyl(methyl)amino]ethyl]-1-(4-methylcyclohexyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[2-[isopropyl(methyl)amin…

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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) 1.65 7.59 -45.57 2 5 1 54 324.489 6 ↓
Hi High (pH 8-9.5) 1.65 5.31 -13.25 1 5 0 53 323.481 6 ↓

Analogs

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Popular Name: 3-pyrrolidinecarboxylic acid, 1-cyclohexyl-5-oxo-, hydrazide 3-pyrrolidinecarboxylic acid, 1-…

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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) -0.27 2.41 -12.33 3 5 0 75 225.292 2 ↓

Analogs

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Popular Name: 3-pyrrolidinecarboxylic acid, 1-cyclohexyl-5-oxo-, hydrazide 3-pyrrolidinecarboxylic acid, 1-…

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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) -0.27 2.44 -16.14 3 5 0 75 225.292 2 ↓

Analogs

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Popular Name: (4R)-1-cyclohexyl-4-hydroxy-pyrrolidin-2-one (4R)-1-cyclohexyl-4-hydroxy-pyrr…

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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) 1.06 2.29 -8.26 1 3 0 41 183.251 1 ↓

Analogs

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Popular Name: (4S)-1-cyclohexyl-4-hydroxy-pyrrolidin-2-one (4S)-1-cyclohexyl-4-hydroxy-pyrr…

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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) 1.06 2.29 -10.07 1 3 0 41 183.251 1 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-(4-hydroxycyclohexyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(4-hydroxycyclo…

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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) -0.56 -0.92 -11.15 2 4 0 61 199.25 1 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-(4-hydroxycyclohexyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(4-hydroxycyclo…

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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) -0.56 -1.19 -10.16 2 4 0 61 199.25 1 ↓

Analogs

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Popular Name: (4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1S,2R,3R)-2,3-dimethylc…

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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 2.88 -8.31 1 3 0 41 211.305 1 ↓

Analogs

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Popular Name: (4R)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1S,2R,3S)-2,3-dimethylc…

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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 3.09 -7.13 1 3 0 41 211.305 1 ↓

Analogs

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Popular Name: (4R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1R,2R,3R)-2,3-dimethylc…

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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 3.58 -8.14 1 3 0 41 211.305 1 ↓

Analogs

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Popular Name: (4R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1R,2R,3S)-2,3-dimethylc…

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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 3.81 -8.08 1 3 0 41 211.305 1 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1S,2R)-2-meth…

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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) 1.30 2.56 -7.18 1 3 0 41 197.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(1S,2S)-2-methylcyclohexyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1S,2S)-2-meth…

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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) 1.30 3.34 -8.1 1 3 0 41 197.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(1R,2R)-2-methylcyclohexyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1R,2R)-2-meth…

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Activity (Go SEA)

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) 1.30 3.34 -8.12 1 3 0 41 197.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(1R,2S)-2-methylcyclohexyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1R,2S)-2-meth…

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Activity (Go SEA)

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) 1.30 2.78 -5.44 1 3 0 41 197.278 1 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-(4-methylcyclohexyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(4-methylcycloh…

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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 2.76 -7.33 1 3 0 41 197.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-(4-methylcyclohexyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(4-methylcycloh…

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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 2.75 -9.08 1 3 0 41 197.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(1S,3R)-3-methylcyclohexyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1S,3R)-3-meth…

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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) 1.06 2.9 -8.19 1 3 0 41 197.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(1S,3S)-3-methylcyclohexyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1S,3S)-3-meth…

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Activity (Go SEA)

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) 1.06 2.75 -7.29 1 3 0 41 197.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(1R,3R)-3-methylcyclohexyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1R,3R)-3-meth…

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Activity (Go SEA)

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) 1.06 2.76 -7.23 1 3 0 41 197.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(1R,3S)-3-methylcyclohexyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1R,3S)-3-meth…

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Activity (Go SEA)

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) 1.06 2.9 -8.2 1 3 0 41 197.278 1 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 3202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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