| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 20 | Yes |
Popular Name: (2S)-2-[2-dimethylaminoethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-one (2S)-2-[2-dimethylaminoethyl(pro…
| 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) | 2.89 | 7.99 | -34.76 | 1 | 3 | 1 | 25 | 281.395 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 7.53 | -37.17 | 1 | 3 | 1 | 25 | 281.395 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 5.51 | -5.96 | 0 | 3 | 0 | 24 | 280.387 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.89 | 10 | -115.9 | 2 | 3 | 2 | 26 | 282.403 | 8 | ↓ |
