| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (3S)-N-[(1S)-1-(benzofuran-2-yl)ethyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(1S)-1-(benzofuran-2-yl)…
| 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) | 3.44 | 9.01 | -110.22 | 3 | 3 | 2 | 34 | 274.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 5.64 | -4.87 | 1 | 3 | 0 | 28 | 272.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 7.97 | -34.49 | 2 | 3 | 1 | 30 | 273.4 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 6.68 | -38.44 | 2 | 3 | 1 | 33 | 273.4 | 4 | ↓ |
