| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 25 | Yes |
Popular Name: (4S)-N2-(3,4-dimethoxyphenyl)-N6-(2-methoxyethyl)-4H-purine-2,6-diamine (4S)-N2-(3,4-dimethoxyphenyl)-N6…
| 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) | 0.53 | 2.35 | -45.82 | 1 | 9 | -1 | 103 | 343.367 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 1.36 | -107.42 | 0 | 9 | -2 | 105 | 342.359 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 2.42 | -35.16 | 1 | 9 | -1 | 103 | 343.367 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.53 | 3.18 | -29.82 | 2 | 9 | 0 | 105 | 344.375 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
