| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 28 | Yes |
Popular Name: N-(6-chloro-1H-benzimidazol-2-yl)-N'-[2-(diallylamino)ethyl]-6-methyl-pyrimidine-2,4-diamine N-(6-chloro-1H-benzimidazol-2-yl…
| 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) | 4.53 | 14.48 | -101.28 | 5 | 7 | 2 | 84 | 399.93 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.53 | 11.62 | -8.5 | 3 | 7 | 0 | 82 | 397.914 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 12.06 | -36.39 | 4 | 7 | 1 | 83 | 398.922 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 14.04 | -48.71 | 4 | 7 | 1 | 83 | 398.922 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.53 | 14.95 | -11.31 | 6 | 7 | 0 | 85 | 400.938 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
