In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (8R,9R)-N9-cyclopropyl-N8-ethyl-N9-isobutyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8R,9R)-N9-cyclopropyl-N8-ethyl-…
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) | 2.51 | 6.63 | -28.68 | 2 | 4 | 1 | 35 | 297.463 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.51 | 5.19 | -2.07 | 1 | 4 | 0 | 34 | 296.455 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.51 | 6.3 | -34.94 | 2 | 4 | 1 | 38 | 297.463 | 6 | ↓ |