In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 18 | Yes |
Popular Name: 8-[[(1S,2S)-2-aminocyclopropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione 8-[[(1S,2S)-2-aminocyclopropyl]a…
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) | -0.32 | 2.71 | -57.54 | 5 | 8 | 1 | 112 | 251.27 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.32 | 2.39 | -8.82 | 4 | 8 | 0 | 111 | 250.262 | 2 | ↓ |