| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | Yes |
Popular Name: N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine N-[[2-(aminomethyl)phenyl]methyl…
| 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) | 0.65 | 7.49 | -94.1 | 4 | 4 | 2 | 50 | 260.385 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 7.57 | -42.71 | 3 | 4 | 1 | 48 | 259.377 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 7.02 | -50.47 | 3 | 4 | 1 | 49 | 259.377 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 5.59 | -6.56 | 2 | 4 | 0 | 47 | 258.369 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | 7.88 | -194.02 | 5 | 4 | 3 | 51 | 261.393 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
