| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: [(3S)-1-isopropyl-3-[(2S)-2-methyl-1-piperidyl]pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-[(2S)-2-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) | 1.28 | 3.52 | -25.85 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 3.59 | -28.21 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 1.65 | -41.61 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 5.48 | -90.93 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 3.37 | -114.71 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 4.13 | -110.42 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 5.85 | -217.51 | 5 | 3 | 3 | 37 | 242.431 | 3 | ↓ |
