| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2010 | 15 | No |
Popular Name: 2-(1-piperidyl)-N-[(3R)-3H-1,2,4-triazol-3-yl]acetamide 2-(1-piperidyl)-N-[(3R)-3H-1,2,4…
| 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) | 0.01 | 5.47 | -89.45 | 1 | 6 | -1 | 80 | 208.245 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.01 | 3.57 | -41.22 | 1 | 6 | -1 | 80 | 208.245 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 6.3 | -54.16 | 2 | 6 | 0 | 73 | 209.253 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 6.48 | -45.68 | 3 | 6 | 1 | 75 | 210.261 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 6.08 | -42.63 | 2 | 6 | 0 | 81 | 209.253 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
