| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-1H-imidazol-5-yl)methanamine N-(1,3-benzodioxol-5-ylmethyl)-1…
| 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) | 1.24 | 5.01 | -47.41 | 3 | 5 | 1 | 64 | 246.29 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 3.65 | -11.96 | 2 | 5 | 0 | 59 | 245.282 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 4.1 | -37.77 | 3 | 5 | 1 | 60 | 246.29 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 5.45 | -115.38 | 4 | 5 | 2 | 65 | 247.298 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
