| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 22 | No |
Popular Name: (4S)-N6-[(2,4-dimethoxyphenyl)methyl]-4H-purine-2,6-diamine (4S)-N6-[(2,4-dimethoxyphenyl)me…
| 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) | 0.27 | 1.55 | -13.34 | 3 | 8 | 0 | 106 | 300.322 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.27 | 0.52 | -38.5 | 2 | 8 | -1 | 108 | 299.314 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.27 | 1.4 | -13.28 | 3 | 8 | 0 | 110 | 300.322 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
