| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 28 | Yes |
Popular Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propan-1-one (2S)-1-(4-benzylpiperazin-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) | 3.04 | 8.51 | -36.77 | 2 | 5 | 1 | 49 | 382.528 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 7.36 | -8.32 | 1 | 5 | 0 | 45 | 381.52 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 9.75 | -47.64 | 2 | 5 | 1 | 46 | 382.528 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | 10.69 | -101.4 | 3 | 5 | 2 | 51 | 383.536 | 7 | ↓ |
