| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 20 | Yes |
Popular Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methyl-amino]propanamidine 3-[(1,3-dimethyl-2,6-dioxo-7H-pu…
| 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) | -0.22 | 4.01 | -46.85 | 5 | 9 | 1 | 128 | 280.312 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.71 | 2.74 | -46.55 | 4 | 9 | 0 | 131 | 279.304 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.17 | 3.77 | -152.86 | 7 | 9 | 2 | 131 | 281.32 | 3 | ↓ |
