| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 16 | Yes |
Popular Name: [(3S)-1-isopropyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-[(3S)-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 | -28.01 | 3 | 3 | 1 | 34 | 226.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 1.3 | -41.59 | 3 | 3 | 1 | 34 | 226.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 3.09 | -30.09 | 3 | 3 | 1 | 34 | 226.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 0.47 | -1.06 | 2 | 3 | 0 | 32 | 225.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 5.36 | -94.9 | 4 | 3 | 2 | 35 | 227.396 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 3.32 | -118.74 | 4 | 3 | 2 | 35 | 227.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 3.7 | -101.64 | 4 | 3 | 2 | 35 | 227.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 5.72 | -220.18 | 5 | 3 | 3 | 37 | 228.404 | 3 | ↓ |
