In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 18 | Yes |
Popular Name: (2R)-2-[(3R)-3-ethyl-1-piperidyl]-2-(3-fluorophenyl)ethanamine (2R)-2-[(3R)-3-ethyl-1-piperidyl…
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) | 2.52 | 7.53 | -123.17 | 4 | 2 | 2 | 32 | 252.377 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 7.8 | -32.31 | 3 | 2 | 1 | 30 | 251.369 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 5.64 | -44.16 | 3 | 2 | 1 | 31 | 251.369 | 4 | ↓ |