| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 21 | No |
Popular Name: (2S)-N-[(3-nitrophenyl)methyl]-2-piperazin-1-yl-propanamide (2S)-N-[(3-nitrophenyl)methyl]-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) | 0.41 | 3.39 | -46.82 | 3 | 7 | 1 | 95 | 293.347 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.41 | 2.03 | -11.94 | 2 | 7 | 0 | 90 | 292.339 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
