| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 21 | Yes |
Popular Name: 2-[4-[[3-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol 2-[4-[[3-(aminomethyl)phenyl]met…
| 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) | -0.27 | -1.71 | -52.01 | 4 | 6 | 1 | 88 | 314.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.27 | -2.11 | -12.38 | 3 | 6 | 0 | 87 | 313.423 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.27 | 0.54 | -94.55 | 5 | 6 | 2 | 90 | 315.439 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
