In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 21 | Yes |
Popular Name: (2R)-N-[(1S)-1-(benzofuran-2-yl)ethyl]-1-(1-piperidyl)propan-2-amine (2R)-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) | 3.89 | 10.36 | -109.31 | 3 | 3 | 2 | 34 | 288.435 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.89 | 8.53 | -34.39 | 2 | 3 | 1 | 33 | 287.427 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.89 | 9.36 | -32.14 | 2 | 3 | 1 | 30 | 287.427 | 5 | ↓ |