| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 23 | Yes |
Popular Name: 2-[6-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-pyridyl]-4-ethyl-1H-pyrimidin-6-one 2-[6-[(3S,5S)-3,5-dimethyl-1-pip…
| 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) | 3.58 | 9.29 | -39.86 | 2 | 5 | 1 | 63 | 313.425 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 7.47 | -45.74 | 1 | 5 | 0 | 66 | 312.417 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 8.95 | -9.19 | 1 | 5 | 0 | 62 | 312.417 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
