| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2010 | 30 | Yes |
Popular Name: 2-phenyl-1-[(3S)-3-[4-(2-pyridylmethyl)piperazine-1-carbonyl]-1-piperidyl]ethanone 2-phenyl-1-[(3S)-3-[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) | 1.71 | 9.18 | -15.57 | 0 | 6 | 0 | 57 | 406.53 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 11.39 | -45.92 | 1 | 6 | 1 | 58 | 407.538 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 9.19 | -40.92 | 1 | 6 | 1 | 58 | 407.538 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.71 | 11.38 | -115.33 | 2 | 6 | 2 | 59 | 408.546 | 5 | ↓ |
