In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2008 | 17 | Yes |
Popular Name: (1S)-N,N-dimethyl-1-phenyl-2-piperazin-1-yl-ethanamine (1S)-N,N-dimethyl-1-phenyl-2-pip…
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) | 1.25 | 6.19 | -97.61 | 3 | 3 | 2 | 24 | 235.375 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 3.63 | -40.15 | 2 | 3 | 1 | 23 | 234.367 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 4.77 | -33.39 | 2 | 3 | 1 | 20 | 234.367 | 4 | ↓ |