| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 19 | Yes |
Popular Name: 2-[4-(2-amino-6-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide 2-[4-(2-amino-6-methyl-pyrimidin…
| 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) | -0.62 | 3.99 | -45.64 | 5 | 7 | 1 | 103 | 265.341 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.62 | 2.38 | -12.34 | 4 | 7 | 0 | 101 | 264.333 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.62 | 4.34 | -93.48 | 6 | 7 | 2 | 104 | 266.349 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.62 | 4.44 | -89.04 | 6 | 7 | 2 | 104 | 266.349 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
