In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 21 | Yes |
Popular Name: 1-[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine 1-[5-fluoro-2-(2-pyrrolidin-1-yl…
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) | 1.92 | 7.96 | -95.19 | 3 | 4 | 2 | 34 | 295.402 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 5.53 | -41.4 | 2 | 4 | 1 | 32 | 294.394 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 6.27 | -39.83 | 2 | 4 | 1 | 29 | 294.394 | 5 | ↓ |