In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 20 | Yes |
Popular Name: (7S,8S)-N7-isopropyl-N7-pentyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7S,8S)-N7-isopropyl-N7-pentyl-1…
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) | 2.36 | 5.95 | -117.98 | 4 | 4 | 2 | 51 | 286.46 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 4.11 | -41.22 | 3 | 4 | 1 | 49 | 285.452 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 5.65 | -30.84 | 3 | 4 | 1 | 49 | 285.452 | 6 | ↓ |