In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 26 | Yes |
Popular Name: 4-[(2R,3S)-1,4-diethyl-3-(2-fluoro-4-hydroxy-phenyl)piperazin-2-yl]-3-fluoro-phenol 4-[(2R,3S)-1,4-diethyl-3-(2-fluo…
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) | 3.38 | 4.1 | -7.67 | 2 | 4 | 0 | 47 | 362.42 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.38 | 6.82 | -108.92 | 4 | 4 | 2 | 49 | 364.436 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.38 | 6.35 | -36.35 | 3 | 4 | 1 | 48 | 363.428 | 4 | ↓ |