| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | Yes |
Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-(1H-indol-2-yl)methanone [(2S,6R)-2,6-dimethylpiperazin-1…
| 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) | 1.79 | 5.16 | -51.18 | 3 | 4 | 1 | 53 | 258.345 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 3.58 | -6.39 | 2 | 4 | 0 | 48 | 257.337 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
