| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-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) | 1.02 | 8.16 | -128.79 | 4 | 4 | 2 | 50 | 274.412 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 7.85 | -43.79 | 3 | 4 | 1 | 48 | 273.404 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 6.58 | -51.62 | 3 | 4 | 1 | 49 | 273.404 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 6.18 | -7.28 | 2 | 4 | 0 | 47 | 272.396 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 8.64 | -188.24 | 5 | 4 | 3 | 51 | 275.42 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 7.04 | -84.19 | 4 | 4 | 2 | 50 | 274.412 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
