| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | No |
Popular Name: 2-[4-[(3S)-3-(aminomethyl)-1,1-dioxo-thiolan-3-yl]piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-[(3S)-3-(aminomethyl)-1,1-d…
| 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) | -1.34 | -1.21 | -106.56 | 4 | 6 | 2 | 73 | 306.476 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.34 | -4.06 | -10.44 | 2 | 6 | 0 | 70 | 304.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.34 | -2.04 | -42.27 | 3 | 6 | 1 | 71 | 305.468 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
