| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 24 | No |
Popular Name: (2S)-2-ethyl-6-nitro-4-[2-(1-piperidyl)ethyl]-1,4-benzoxazin-3-one (2S)-2-ethyl-6-nitro-4-[2-(1-pip…
| 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) | 2.97 | 9.75 | -39.75 | 1 | 7 | 1 | 80 | 334.396 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 7.53 | -7.62 | 0 | 7 | 0 | 79 | 333.388 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
