| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2004 | 28 | No |
Popular Name: (3S)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2,4-dibromophenyl)pyrrolidine-2,5-quinone (3S)-3-(4-benzylpiperazin-1-ium-…
| 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) | 3.20 | 8.67 | -10.8 | 0 | 5 | 0 | 44 | 507.226 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 10.9 | -48.83 | 1 | 5 | 1 | 45 | 508.234 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 8.51 | -9.14 | 0 | 5 | 0 | 44 | 507.226 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 10.92 | -48.84 | 1 | 5 | 1 | 45 | 508.234 | 4 | ↓ |
