| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 18 | Yes |
Popular Name: (3S)-N-[(3-chloro-4-fluoro-phenyl)methyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(3-chloro-4-fluoro-pheny…
| 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) | 3.09 | 7.45 | -36.15 | 2 | 2 | 1 | 16 | 271.787 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 6.12 | -48.69 | 2 | 2 | 1 | 20 | 271.787 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 4.98 | -3.68 | 1 | 2 | 0 | 15 | 270.779 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 8.59 | -122.56 | 3 | 2 | 2 | 21 | 272.795 | 4 | ↓ |
