In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 27 | No |
Popular Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(3-morpholinopropylamino)purine-2,6-dione 7-[(Z)-3-chlorobut-2-enyl]-3-met…
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) | 0.60 | 6.02 | -10.43 | 2 | 9 | 0 | 97 | 396.879 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.06 | 4.22 | -48.86 | 1 | 9 | -1 | 100 | 395.871 | 7 | ↓ |