| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 23 | No |
Popular Name: (3R,6R)-1-acetonyl-3-(aminomethyl)-6-[(3,4-dihydroxyphenyl)methyl]piperazine-2,5-dione (3R,6R)-1-acetonyl-3-(aminomethy…
| 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) | -2.21 | -2.05 | -65.98 | 6 | 8 | 1 | 135 | 322.341 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.21 | -2.66 | -19.02 | 5 | 8 | 0 | 133 | 321.333 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
