In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-2-(4-ethyl-1-piperidyl)-2-(4-fluorophenyl)ethanamine (2S)-2-(4-ethyl-1-piperidyl)-2-(…
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) | 2.73 | 7.53 | -127 | 4 | 2 | 2 | 32 | 252.377 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 7.19 | -37.54 | 3 | 2 | 1 | 30 | 251.369 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 5.39 | -48.92 | 3 | 2 | 1 | 31 | 251.369 | 4 | ↓ |