| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 19 | Yes |
Popular Name: N,N-dimethyl-2-[4-(4H-1,2,4-triazol-3-ylmethylamino)-1-piperidyl]acetamide N,N-dimethyl-2-[4-(4H-1,2,4-tria…
| 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) | -1.62 | 2.68 | -42.98 | 3 | 7 | 1 | 82 | 267.357 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.62 | 2.5 | -38.18 | 2 | 7 | 0 | 80 | 266.349 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.62 | 1.48 | -14.59 | 2 | 7 | 0 | 77 | 266.349 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | 3.65 | -45.53 | 3 | 7 | 1 | 78 | 267.357 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.61 | 4.83 | -118.25 | 4 | 7 | 2 | 83 | 268.365 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
