| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 19 | No |
Popular Name: 1-[(2S)-2-amino-2-(2-methoxy-5-methyl-phenyl)ethyl]pyrrolidine-2,5-dione 1-[(2S)-2-amino-2-(2-methoxy-5-m…
| 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 | 4.12 | -42.07 | 3 | 5 | 1 | 74 | 263.317 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.06 | 3.8 | -11.38 | 2 | 5 | 0 | 73 | 262.309 | 4 | ↓ |
Popular Name: 1-[(2R)-2-(ethylamino)-2-(2-methoxy-5-methyl-phenyl)ethyl]pyrrolidin-2-one 1-[(2R)-2-(ethylamino)-2-(2-meth…
| 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) | 2.24 | 7.16 | -43.34 | 2 | 4 | 1 | 46 | 277.388 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 6.42 | -8.57 | 1 | 4 | 0 | 42 | 276.38 | 6 | ↓ |
Popular Name: 1-[(2S)-2-(ethylamino)-2-(2-methoxy-5-methyl-phenyl)ethyl]pyrrolidin-2-one 1-[(2S)-2-(ethylamino)-2-(2-meth…
| 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) | 2.24 | 7.34 | -41.73 | 2 | 4 | 1 | 46 | 277.388 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 6.45 | -11.21 | 1 | 4 | 0 | 42 | 276.38 | 6 | ↓ |
Popular Name: 1-[(2R)-2-(ethylamino)-2-(2-methoxy-5-methyl-phenyl)ethyl]pyrrolidine-2,5-dione 1-[(2R)-2-(ethylamino)-2-(2-meth…
| 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 | 6.44 | -35.13 | 2 | 5 | 1 | 63 | 291.371 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 5.77 | -11.24 | 1 | 5 | 0 | 59 | 290.363 | 6 | ↓ |
Popular Name: 1-[(2S)-2-(ethylamino)-2-(2-methoxy-5-methyl-phenyl)ethyl]pyrrolidine-2,5-dione 1-[(2S)-2-(ethylamino)-2-(2-meth…
| 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 | 6.66 | -32.82 | 2 | 5 | 1 | 63 | 291.371 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 5.49 | -10.39 | 1 | 5 | 0 | 59 | 290.363 | 6 | ↓ |
Popular Name: 1-[(2S)-2-(2-methoxy-5-methyl-phenyl)-2-(methylamino)ethyl]pyrrolidine-2,5-dione 1-[(2S)-2-(2-methoxy-5-methyl-ph…
| 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 | 5.84 | -34.91 | 2 | 5 | 1 | 63 | 277.344 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.86 | -11.4 | 1 | 5 | 0 | 59 | 276.336 | 5 | ↓ |
Popular Name: 1-[(2R)-2-(2-methoxy-5-methyl-phenyl)-2-(methylamino)ethyl]pyrrolidine-2,5-dione 1-[(2R)-2-(2-methoxy-5-methyl-ph…
| 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 | 5.65 | -36.92 | 2 | 5 | 1 | 63 | 277.344 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.52 | -10.64 | 1 | 5 | 0 | 59 | 276.336 | 5 | ↓ |
