| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | No |
Popular Name: 2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[(2S,6R)-2,6-dimethyl-1-piperi…
| 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) | 2.10 | 7.24 | -31.77 | 1 | 6 | 0 | 81 | 265.313 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 7.69 | -48.66 | 2 | 6 | 1 | 83 | 266.321 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 5.08 | -29.91 | 0 | 6 | -1 | 80 | 264.305 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
