| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 21 | Yes |
Popular Name: [(2R)-1-[(2S)-2-hydroxy-3-isopropoxy-propyl]pyrrolidin-2-yl]-piperazin-1-yl-methanone [(2R)-1-[(2S)-2-hydroxy-3-isopro…
| 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) | -0.54 | 3.08 | -101.4 | 4 | 6 | 2 | 71 | 301.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.54 | -0.35 | -12.59 | 2 | 6 | 0 | 65 | 299.415 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.54 | 1.78 | -38.56 | 3 | 6 | 1 | 66 | 300.423 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
