| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: N-[(1S)-1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(2-methyli…
| 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) | 3.17 | 9.44 | -50.66 | 2 | 3 | 1 | 34 | 278.807 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 8.33 | -6.1 | 1 | 3 | 0 | 30 | 277.799 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 9.9 | -83.92 | 3 | 3 | 2 | 36 | 279.815 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
