| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 18 | Yes |
Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylimidazol-2-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) | 0.95 | 4.39 | -35.02 | 2 | 5 | 1 | 50 | 246.29 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.95 | 3.93 | -13.04 | 1 | 5 | 0 | 48 | 245.282 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 5.75 | -120.98 | 3 | 5 | 2 | 54 | 247.298 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
