| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: [(3S)-3-[(2R)-2-ethyl-1-piperidyl]-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-[(2R)-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 | 4.43 | -26.51 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 2.58 | -40.76 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 4.91 | -30.79 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 6.83 | -91.7 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 4.51 | -111.62 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 4.99 | -105.33 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 6.91 | -213.32 | 5 | 3 | 3 | 37 | 256.458 | 4 | ↓ |
