In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N2-ethyl-N2-[(1S)-2-methoxy-1-methyl-ethyl]-N1-propyl-cyclooctane-1,2-diamine (1S,2S)-N2-ethyl-N2-[(1S)-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) | 4.09 | 7.22 | -32 | 2 | 3 | 1 | 29 | 285.496 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.09 | 6.57 | -0.14 | 1 | 3 | 0 | 24 | 284.488 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.09 | 8.88 | -25.44 | 2 | 3 | 1 | 26 | 285.496 | 8 | ↓ |