| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 17 | Yes |
Popular Name: 1-(1,3-benzodioxol-5-yl)-N-(1H-imidazol-5-ylmethyl)methanamine 1-(1,3-benzodioxol-5-yl)-N-(1H-i…
| 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) | 1.01 | 4.48 | -46.85 | 3 | 5 | 1 | 64 | 232.263 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 3.12 | -9.83 | 2 | 5 | 0 | 59 | 231.255 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 3.61 | -39.33 | 3 | 5 | 1 | 60 | 232.263 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
