| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2009 | 22 | Yes |
Popular Name: (2R)-6-[8-(aminomethyl)-3-methyl-2,6-dioxo-7H-purin-1-yl]-2-methyl-hexanenitrile (2R)-6-[8-(aminomethyl)-3-methyl…
| 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) | 0.86 | 4.63 | -64.5 | 4 | 8 | 1 | 124 | 305.362 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.37 | 3.59 | -46.72 | 3 | 8 | 0 | 127 | 304.354 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000061583A1 | IBM Patent Data |
