| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2010 | 20 | No |
Popular Name: (1S)-N-[(1-methyl-4-piperidyl)methyl]-1-(3-nitrophenyl)ethanamine (1S)-N-[(1-methyl-4-piperidyl)me…
| 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) | 2.79 | 9.74 | -115.06 | 3 | 5 | 2 | 67 | 279.384 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 8.64 | -40.1 | 2 | 5 | 1 | 62 | 278.376 | 5 | ↓ |
