| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: (2S)-2-(azocan-1-yl)-2-(5-bromo-2-methoxy-phenyl)ethanamine (2S)-2-(azocan-1-yl)-2-(5-bromo-…
| 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) | 3.44 | 7.8 | -111.8 | 4 | 3 | 2 | 41 | 343.309 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 7.59 | -26.53 | 3 | 3 | 1 | 40 | 342.301 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 6.91 | -41.48 | 3 | 3 | 1 | 40 | 342.301 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
