| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | Yes |
Popular Name: (2S,4R,5S)-N-[(1R)-1-(4-bromophenyl)propyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4R,5S)-N-[(1R)-1-(4-bromophe…
| 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) | 3.69 | 10.53 | -108.44 | 3 | 2 | 2 | 21 | 341.337 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 9.88 | -32.35 | 2 | 2 | 1 | 16 | 340.329 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 8.59 | -40.9 | 2 | 2 | 1 | 20 | 340.329 | 4 | ↓ |
