In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1S)-N'-(1-ethyl-4-piperidyl)-N,N'-dimethyl-1-phenyl-ethane-1,2-diamine (1S)-N'-(1-ethyl-4-piperidyl)-N,…
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) | 2.50 | 7.69 | -86.69 | 3 | 3 | 2 | 24 | 277.456 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.50 | 6.41 | -34.4 | 2 | 3 | 1 | 20 | 276.448 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.51 | 6.87 | -33 | 2 | 3 | 1 | 20 | 276.448 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 9.81 | -194.98 | 4 | 3 | 3 | 25 | 278.464 | 6 | ↓ |