In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: (1S)-N,N-dimethyl-N'-[(1S)-1-(1-methyl-4-piperidyl)ethyl]-1-phenyl-ethane-1,2-diamine (1S)-N,N-dimethyl-N'-[(1S)-1-(1-…
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) | 2.84 | 8.47 | -94.77 | 3 | 3 | 2 | 24 | 291.483 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 10.54 | -185.35 | 4 | 3 | 3 | 25 | 292.491 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 10.91 | -83.38 | 3 | 3 | 2 | 21 | 291.483 | 6 | ↓ |