| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 16 | Yes |
Popular Name: [(3S)-1-isopropyl-3-[(3R)-3-methylpyrrolidin-1-yl]pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-[(3R)-3-meth…
| 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) | 0.92 | 2.91 | -28.05 | 3 | 3 | 1 | 34 | 226.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 1.25 | -41.32 | 3 | 3 | 1 | 34 | 226.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 3.04 | -30.11 | 3 | 3 | 1 | 34 | 226.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 0.76 | -0.89 | 2 | 3 | 0 | 32 | 225.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 5.34 | -94.99 | 4 | 3 | 2 | 35 | 227.396 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 3.33 | -118.61 | 4 | 3 | 2 | 35 | 227.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 3.64 | -101.97 | 4 | 3 | 2 | 35 | 227.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 5.74 | -220.21 | 5 | 3 | 3 | 37 | 228.404 | 3 | ↓ |
