| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: [(3S)-3-[(2S)-2-ethyl-1-piperidyl]-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-[(2S)-2-ethyl-1-piperidy…
| 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) | 1.81 | 5.37 | -26.74 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 3.88 | -43.79 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 4.53 | -31.38 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 6.47 | -89.36 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 5.72 | -118.97 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 4.8 | -108.33 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 6.86 | -218.96 | 5 | 3 | 3 | 37 | 256.458 | 4 | ↓ |
