In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: N,N-dimethyl-1-[(1R,2R,5S)-2-(methylamino)-5-propyl-cyclohexyl]piperidin-4-amine N,N-dimethyl-1-[(1R,2R,5S)-2-(me…
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) | 3.19 | 7.55 | -87.2 | 3 | 3 | 2 | 24 | 283.504 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 7 | -116.1 | 3 | 3 | 2 | 24 | 283.504 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 9.44 | -201.53 | 4 | 3 | 3 | 25 | 284.512 | 5 | ↓ |