| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 21 | No |
Popular Name: (2R)-N-[(2-bromo-4-nitro-phenyl)methyl]-2-(1-piperidyl)propan-1-amine (2R)-N-[(2-bromo-4-nitro-phenyl)…
| 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) | 3.46 | 9.01 | -37.54 | 2 | 5 | 1 | 62 | 357.272 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 6.67 | -5.69 | 1 | 5 | 0 | 61 | 356.264 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 8.41 | -49.58 | 2 | 5 | 1 | 66 | 357.272 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
