In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (7S,8R)-N7,N7-diisobutyl-N8-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7S,8R)-N7,N7-diisobutyl-N8-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) | 2.90 | 6.37 | -28.13 | 2 | 4 | 1 | 35 | 299.479 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 6.84 | -1.7 | 1 | 4 | 0 | 34 | 298.471 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 6.37 | -35.87 | 2 | 4 | 1 | 38 | 299.479 | 6 | ↓ |