| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 21 | Yes |
Popular Name: 2-[4-[(3R)-3-ethylpiperidine-3-carbonyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(3R)-3-ethylpiperidine-3-c…
| 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) | -0.66 | 2.84 | -95.15 | 5 | 6 | 2 | 84 | 298.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | 1.2 | -47.62 | 4 | 6 | 1 | 83 | 297.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
