In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 29 | Yes |
Popular Name: 7-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-propylamino-purine-2,6-dione 7-[(2R)-3-(2,4-dichlorophenoxy)-…
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) | 2.43 | -5.11 | -16.6 | 3 | 9 | 0 | 114 | 442.303 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.43 | -4.87 | -46.3 | 4 | 9 | 1 | 115 | 443.311 | 8 | ↓ |