In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2010 | 15 | Yes |
Popular Name: N-(1-ethyl-4-piperidyl)-N,N'-dimethyl-propane-1,3-diamine N-(1-ethyl-4-piperidyl)-N,N'-dim…
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) | 1.19 | 4.54 | -79.46 | 3 | 3 | 2 | 24 | 215.385 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.19 | 5.57 | -96.27 | 3 | 3 | 2 | 21 | 215.385 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.19 | 3.32 | -33.57 | 2 | 3 | 1 | 20 | 214.377 | 6 | ↓ |