| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: (4-tert-butylpiperazin-1-yl)-[(2S,4R)-4-methoxypyrrolidin-2-yl]methanone (4-tert-butylpiperazin-1-yl)-[(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) | 0.62 | 1.98 | -37.96 | 2 | 5 | 1 | 49 | 270.397 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 0.73 | -7.75 | 1 | 5 | 0 | 45 | 269.389 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 4.04 | -91.41 | 3 | 5 | 2 | 51 | 271.405 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
