| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 21 | Yes |
Popular Name: (2S)-2-[2-dimethylaminoethyl(isobutyl)amino]-1-(4-fluorophenyl)propan-1-one (2S)-2-[2-dimethylaminoethyl(iso…
| 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) | 3.14 | 9 | -44.83 | 1 | 3 | 1 | 25 | 295.422 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 8.1 | -36.74 | 1 | 3 | 1 | 25 | 295.422 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 6.54 | -5.13 | 0 | 3 | 0 | 24 | 294.414 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.14 | 10.56 | -111.78 | 2 | 3 | 2 | 26 | 296.43 | 8 | ↓ |
