| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 18 | Yes |
Popular Name: (1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(2-pyrrolidin-…
| 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) | 1.03 | 6.74 | -90.76 | 4 | 3 | 2 | 41 | 315.255 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 6.41 | -34.44 | 3 | 3 | 1 | 40 | 314.247 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 4.24 | -49.17 | 3 | 3 | 1 | 40 | 314.247 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
