| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 22 | Yes |
Popular Name: 3-chloro-4-[(2R,3S)-3-(2-chloro-4-hydroxy-phenyl)piperazin-2-yl]phenol 3-chloro-4-[(2R,3S)-3-(2-chloro-…
| 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) | 3.16 | 2.21 | -126.36 | 6 | 4 | 2 | 74 | 341.238 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | -0.39 | -6.82 | 4 | 4 | 0 | 65 | 339.222 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 0.93 | -43.94 | 5 | 4 | 1 | 69 | 340.23 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 2.98 | -131.48 | 5 | 4 | 1 | 76 | 340.23 | 2 | ↓ |
