| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 20 | Yes |
Popular Name: N-[[3-[(2-methylimidazol-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[3-[(2-methylimidazol-1-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) | 2.75 | 9.83 | -96.56 | 3 | 3 | 2 | 36 | 287.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 7.97 | -6.39 | 1 | 3 | 0 | 30 | 285.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 9.35 | -46.44 | 2 | 3 | 1 | 34 | 286.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
