| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 30 | Yes |
Popular Name: 3-methyl-7-phenethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione 3-methyl-7-phenethyl-8-(3-phenyl…
| 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) | 4.09 | -0.97 | -9.57 | 1 | 6 | 0 | 72 | 420.538 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.35 | -0.75 | -42.34 | 2 | 6 | 1 | 74 | 421.546 | 8 | ↓ |
