| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 21 | Yes |
Popular Name: N-[(S)-(1-ethylimidazol-2-yl)-(1-isoquinolyl)methyl]ethanamine N-[(S)-(1-ethylimidazol-2-yl)-(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) | 2.54 | 9.38 | -27.47 | 2 | 4 | 1 | 44 | 281.383 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 8.72 | -8.16 | 1 | 4 | 0 | 43 | 280.375 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 7.96 | -36.19 | 2 | 4 | 1 | 47 | 281.383 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 8.32 | -83.66 | 3 | 4 | 2 | 45 | 282.391 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
