| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 23 | No |
Popular Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-chloro-5-nitro-phenyl)propionamide (2S)-2-(azocan-1-ium-1-yl)-N-(2-…
| 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) | 3.96 | 9.77 | -40.43 | 2 | 6 | 1 | 79 | 340.831 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 8.1 | -26.76 | 1 | 6 | 0 | 86 | 339.823 | 4 | ↓ |
