| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 16 | Yes |
Popular Name: [(3S)-1-isopropyl-3-piperazin-1-yl-pyrrolidin-3-yl]methanol [(3S)-1-isopropyl-3-piperazin-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) | -0.10 | 0.47 | -91.83 | 4 | 4 | 2 | 45 | 229.368 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | -1.86 | -40.2 | 3 | 4 | 1 | 43 | 228.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | -0.87 | -33.24 | 3 | 4 | 1 | 40 | 228.36 | 3 | ↓ |
