In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (8R,9R)-9-[(3S)-3-methylpyrrolidin-1-yl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (8R,9R)-9-[(3S)-3-methylpyrrolid…
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) | 2.41 | 5.82 | -31.12 | 2 | 4 | 1 | 35 | 283.436 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 3.74 | -2.4 | 1 | 4 | 0 | 34 | 282.428 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 4.85 | -34.6 | 2 | 4 | 1 | 38 | 283.436 | 4 | ↓ |