In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (7R,8S)-N7-[(1S)-1,3-dimethylbutyl]-N7,N8-dimethyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7R,8S)-N7-[(1S)-1,3-dimethylbut…
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) | 2.63 | 6.07 | -31.87 | 2 | 4 | 1 | 35 | 285.452 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 4.31 | -2.24 | 1 | 4 | 0 | 34 | 284.444 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 5.09 | -34.27 | 2 | 4 | 1 | 38 | 285.452 | 5 | ↓ |