| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: [(3S)-3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-[(2R)-2-cyclopentylpyrro…
| 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) | 2.21 | 3.21 | -26.28 | 3 | 3 | 1 | 34 | 280.48 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 2.58 | -46.56 | 3 | 3 | 1 | 34 | 280.48 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 4.82 | -31.78 | 3 | 3 | 1 | 34 | 280.48 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 2.06 | -1.27 | 2 | 3 | 0 | 32 | 279.472 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 7.05 | -98.85 | 4 | 3 | 2 | 35 | 281.488 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 4.83 | -119.28 | 4 | 3 | 2 | 35 | 281.488 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 7.27 | -228.63 | 5 | 3 | 3 | 37 | 282.496 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 5.14 | -115.47 | 4 | 3 | 2 | 35 | 281.488 | 4 | ↓ |
