| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: [(3S)-1-isopropyl-3-[(3S)-3-propoxy-1-piperidyl]pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-[(3S)-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 | 4.19 | -30.28 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 2.18 | -41.97 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 3.58 | -28.18 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 1.45 | -1.61 | 2 | 4 | 0 | 42 | 283.46 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.29 | 4.79 | -107.72 | 4 | 4 | 2 | 45 | 285.476 | 6 | ↓ |
