In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 26th, 2011 | 28 | No |
Popular Name: (2S)-1-[4-[(2S)-2-hydroxy-2-methyl-nonyl]piperazin-1-yl]-2-methyl-nonan-2-ol (2S)-1-[4-[(2S)-2-hydroxy-2-meth…
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) | 6.75 | 10.47 | -33.53 | 3 | 4 | 1 | 48 | 399.684 | 16 | ↓ |
Mid Mid (pH 6-8) | 6.75 | 8.76 | -2.73 | 2 | 4 | 0 | 47 | 398.676 | 16 | ↓ |