| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2010 | 22 | Yes |
Popular Name: (2S)-N,N-diethyl-2-[4-(2-pyridylmethyl)piperazin-1-yl]propanamide (2S)-N,N-diethyl-2-[4-(2-pyridyl…
| 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) | 0.90 | 6.51 | -35.04 | 1 | 5 | 1 | 41 | 305.446 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 4.87 | -35.05 | 1 | 5 | 1 | 41 | 305.446 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 6.41 | -35 | 1 | 5 | 1 | 41 | 305.446 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 4.15 | -9.82 | 0 | 5 | 0 | 40 | 304.438 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 7.23 | -83.38 | 2 | 5 | 2 | 42 | 306.454 | 6 | ↓ |
