| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | No |
Popular Name: [(2S)-1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone [(2S)-1-(3-methylsulfonylpropyl)…
| 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) | -0.95 | 2.48 | -112.19 | 3 | 6 | 2 | 75 | 305.444 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.95 | -0.73 | -22.03 | 1 | 6 | 0 | 70 | 303.428 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.95 | 1.19 | -50.14 | 2 | 6 | 1 | 71 | 304.436 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
