| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 19 | Yes |
Popular Name: 2-fluoro-5-[[isopropyl-[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile 2-fluoro-5-[[isopropyl-[(3S)-pyr…
| 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) | 2.17 | 6.13 | -46.48 | 2 | 3 | 1 | 40 | 262.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 5.5 | -37.33 | 2 | 3 | 1 | 44 | 262.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 4.21 | -7.21 | 1 | 3 | 0 | 39 | 261.344 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 7.53 | -124.52 | 3 | 3 | 2 | 45 | 263.36 | 4 | ↓ |
