In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: (8S,9R)-N-ethyl-9-[(3S)-3-methylpyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-amine (8S,9R)-N-ethyl-9-[(3S)-3-methyl…
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) | 1.90 | 6.72 | -108.53 | 3 | 4 | 2 | 40 | 270.417 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 3.06 | -2.92 | 1 | 4 | 0 | 34 | 268.401 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 4.55 | -33.18 | 2 | 4 | 1 | 38 | 269.409 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 5.66 | -28.18 | 2 | 4 | 1 | 35 | 269.409 | 3 | ↓ |