| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 28 | No |
Popular Name: (3R,6S)-6-[(3,4-dihydroxyphenyl)methyl]-3-isobutyl-1-(2-pyridylmethyl)piperazine-2,5-dione (3R,6S)-6-[(3,4-dihydroxyphenyl)…
| 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) | 1.32 | 3.16 | -14.6 | 3 | 7 | 0 | 103 | 383.448 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 3.9 | -44.77 | 4 | 7 | 1 | 104 | 384.456 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
