In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 29th, 2008 | 28 | Yes |
Popular Name: 1-[(13S)-13-hydroxytetradecyl]-3,7-dimethyl-purine-2,6-dione 1-[(13S)-13-hydroxytetradecyl]-3…
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) | 4.88 | 11.96 | -12.58 | 1 | 7 | 0 | 82 | 392.544 | 13 | ↓ |
Mid Mid (pH 6-8) | 4.88 | 12.45 | -48.01 | 2 | 7 | 1 | 83 | 393.552 | 13 | ↓ |