In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (7S,8S)-N8-ethyl-N7-(1-ethylpropyl)-N7-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7S,8S)-N8-ethyl-N7-(1-ethylprop…
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) | 2.77 | 6.82 | -111.16 | 3 | 4 | 2 | 40 | 286.46 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 3.75 | -2.14 | 1 | 4 | 0 | 34 | 284.444 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 5.63 | -32.06 | 2 | 4 | 1 | 35 | 285.452 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 4.85 | -34.41 | 2 | 4 | 1 | 38 | 285.452 | 6 | ↓ |