In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 18 | Yes |
Popular Name: 1-[(4R)-4-hydroxypentyl]-3-methyl-7H-purine-2,6-dione 1-[(4R)-4-hydroxypentyl]-3-methy…
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) | 0.27 | 3.26 | -13.35 | 2 | 7 | 0 | 93 | 252.274 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.22 | 1.93 | -38.99 | 1 | 7 | -1 | 96 | 251.266 | 4 | ↓ |