| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: [(3S)-1-isopropyl-3-(4-methoxy-1-piperidyl)pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-(4-methoxy-1…
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | -0.32 | 2.66 | -32.86 | 3 | 4 | 1 | 43 | 256.414 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | 1.4 | -44.49 | 3 | 4 | 1 | 43 | 256.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 4.56 | -99.56 | 4 | 4 | 2 | 44 | 257.422 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 1.07 | -1.58 | 2 | 4 | 0 | 42 | 255.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 2.82 | -29.33 | 3 | 4 | 1 | 43 | 256.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 3.21 | -122.07 | 4 | 4 | 2 | 45 | 257.422 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.32 | 3.05 | -105.98 | 4 | 4 | 2 | 45 | 257.422 | 4 | ↓ |
