| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2009 | 24 | Yes |
Popular Name: (2S,3R)-3-amino-1-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-4-phenyl-butan-2-ol (2S,3R)-3-amino-1-[(2S)-2-(4-flu…
| 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) | 2.51 | 7.58 | -41.49 | 4 | 3 | 1 | 51 | 329.439 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 5.73 | -3.97 | 3 | 3 | 0 | 49 | 328.431 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | 6.01 | -50 | 4 | 3 | 1 | 51 | 329.439 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.51 | 7.87 | -126.9 | 5 | 3 | 2 | 52 | 330.447 | 6 | ↓ |
