In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: 1-[4-[(1R,2S)-2-amino-1-(4-fluorophenyl)propyl]piperazin-1-yl]ethanone 1-[4-[(1R,2S)-2-amino-1-(4-fluor…
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) | 0.55 | 3.42 | -54.63 | 3 | 4 | 1 | 51 | 280.367 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.55 | 5.91 | -142.13 | 4 | 4 | 2 | 52 | 281.375 | 3 | ↓ |