In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1R,2S,4S)-4-methyl-2-[(3S)-3-propoxy-1-piperidyl]-N-propyl-cyclohexanamine (1R,2S,4S)-4-methyl-2-[(3S)-3-pr…
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) | 3.65 | 8.16 | -35.12 | 2 | 3 | 1 | 29 | 297.507 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.65 | 9.24 | -32.77 | 2 | 3 | 1 | 26 | 297.507 | 7 | ↓ |