| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 21 | Yes |
Popular Name: 1-[4-[[3-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanone 1-[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) | -0.28 | 2.08 | -58.58 | 3 | 6 | 1 | 85 | 312.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 1.68 | -16.64 | 2 | 6 | 0 | 84 | 311.407 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
