| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2009 | 29 | Yes |
Popular Name: (2S)-N-(3,4-difluorophenyl)-2-[4-(4-ethylpiperazin-1-yl)-2-methyl-anilino]propanamide (2S)-N-(3,4-difluorophenyl)-2-[4…
| 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) | 4.60 | 9.96 | -45.56 | 3 | 5 | 1 | 49 | 403.497 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.60 | 7.74 | -12.89 | 2 | 5 | 0 | 48 | 402.489 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.60 | 10.63 | -121.06 | 4 | 5 | 2 | 50 | 404.505 | 6 | ↓ |
