| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 22 | Yes |
Popular Name: (2-bromophenyl)-[(3S,5S)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]methanone (2-bromophenyl)-[(3S,5S)-4-(2-di…
| 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) | 2.25 | 7.81 | -45.57 | 1 | 4 | 1 | 28 | 369.327 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 5.35 | -8.86 | 0 | 4 | 0 | 27 | 368.319 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.25 | 9.85 | -118.53 | 2 | 4 | 2 | 29 | 370.335 | 4 | ↓ |
