In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 14 | Yes |
Popular Name: (2S)-1-(4-ethyl-1-piperidyl)-3-(methylamino)propan-2-ol (2S)-1-(4-ethyl-1-piperidyl)-3-(…
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) | 1.32 | 3.49 | -99.65 | 4 | 3 | 2 | 41 | 202.342 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 1.99 | -34.02 | 3 | 3 | 1 | 37 | 201.334 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 4.03 | -40.78 | 3 | 3 | 1 | 44 | 201.334 | 5 | ↓ |