| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 21 | Yes |
Popular Name: [3-fluoro-4-[[(2S)-2-(4-pyridyl)pyrrolidin-1-yl]methyl]phenyl]methanamine [3-fluoro-4-[[(2S)-2-(4-pyridyl)…
| 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) | 1.71 | 7.55 | -96.72 | 4 | 3 | 2 | 45 | 287.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 7.15 | -37.19 | 3 | 3 | 1 | 43 | 286.374 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
