| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: [(3S)-1-isopropyl-3-[(3R)-3-propoxy-1-piperidyl]pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-[(3R)-3-prop…
| 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) | 1.29 | 4.23 | -31.08 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 2.27 | -42.88 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 3.6 | -27.9 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 1.5 | -1.58 | 2 | 4 | 0 | 42 | 283.46 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.29 | 4.77 | -106.73 | 4 | 4 | 2 | 45 | 285.476 | 6 | ↓ |
