| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 18 | Yes |
Popular Name: (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-2-phenyl-ethanol (2S)-2-[(1-ethylimidazol-2-yl)me…
| 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) | 0.98 | 4.59 | -30.27 | 3 | 4 | 1 | 51 | 246.334 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 3.83 | -9.55 | 2 | 4 | 0 | 50 | 245.326 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 5.04 | -41.72 | 3 | 4 | 1 | 55 | 246.334 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 5.54 | -107.72 | 4 | 4 | 2 | 56 | 247.342 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
