| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 21 | Yes |
Popular Name: 5-[(1,3-benzoxazol-2-ylmethylamino)methyl]-N,N-dimethyl-pyridin-2-amine 5-[(1,3-benzoxazol-2-ylmethylami…
| 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) | 2.13 | 5.35 | -106.05 | 3 | 5 | 2 | 60 | 284.363 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 3.71 | -12 | 1 | 5 | 0 | 54 | 282.347 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 3.99 | -32.67 | 2 | 5 | 1 | 55 | 283.355 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 4.97 | -49.41 | 2 | 5 | 1 | 59 | 283.355 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
