In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-N-ethyl-2-(4-ethyl-1-piperidyl)cycloheptanamine (1R,2S)-N-ethyl-2-(4-ethyl-1-pip…
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) | 4.23 | 9.7 | -110.71 | 3 | 2 | 2 | 21 | 254.462 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.23 | 8.9 | -28.18 | 2 | 2 | 1 | 16 | 253.454 | 4 | ↓ |