| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: [(3S)-3-(4-isobutylpiperazin-1-yl)-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-(4-isobutylpiperazin-1-y…
| 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) | 1.05 | 3.33 | -99.8 | 4 | 4 | 2 | 39 | 284.492 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 1.37 | -41.43 | 3 | 4 | 1 | 37 | 283.484 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 5.9 | -187.27 | 5 | 4 | 3 | 40 | 285.5 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
