| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: (2S)-1-(4-tert-butylpiperazin-1-yl)-2-piperazin-1-yl-propan-1-one (2S)-1-(4-tert-butylpiperazin-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) | 0.40 | 3.73 | -84.2 | 3 | 5 | 2 | 45 | 284.448 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 0.36 | -7.02 | 1 | 5 | 0 | 39 | 282.432 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 1.66 | -40.45 | 2 | 5 | 1 | 43 | 283.44 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
