| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: [(3S)-3-[(2S)-2-ethylpyrrolidin-1-yl]-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-[(2S)-2-ethylpyrrolidin-…
| 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) | 1.31 | 3.64 | -24.15 | 3 | 3 | 1 | 34 | 240.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 2.61 | -41.42 | 3 | 3 | 1 | 34 | 240.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 4.1 | -31.45 | 3 | 3 | 1 | 34 | 240.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 5.89 | -89.55 | 4 | 3 | 2 | 35 | 241.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 4.08 | -115.27 | 4 | 3 | 2 | 35 | 241.423 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 6.25 | -213.85 | 5 | 3 | 3 | 37 | 242.431 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 4.83 | -105.46 | 4 | 3 | 2 | 35 | 241.423 | 4 | ↓ |
