| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: 2-[[4-(aminomethyl)-2-fluoro-phenyl]methyl-methyl-amino]-1-pyrrolidin-1-yl-ethanone 2-[[4-(aminomethyl)-2-fluoro-phe…
| 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) | 0.77 | 6.11 | -96.3 | 4 | 4 | 2 | 52 | 281.375 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | 5.71 | -40.03 | 3 | 4 | 1 | 51 | 280.367 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | 3.85 | -52.64 | 3 | 4 | 1 | 51 | 280.367 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
