| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 16 | No |
Popular Name: 3-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propanenitrile 3-[[(1S)-1-(4-nitrophenyl)ethyl]…
| 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) | 1.47 | 5.97 | -11.72 | 1 | 5 | 0 | 82 | 219.244 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 7.09 | -69.72 | 2 | 5 | 1 | 86 | 220.252 | 5 | ↓ |
