| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 21 | No |
Popular Name: (4S)-N6-[2-(3-methoxyphenyl)ethyl]-4H-purine-2,6-diamine (4S)-N6-[2-(3-methoxyphenyl)ethy…
| 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) | 0.67 | 3.01 | -11.56 | 3 | 7 | 0 | 97 | 284.323 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 1.98 | -36.5 | 2 | 7 | -1 | 99 | 283.315 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 2.86 | -11.46 | 3 | 7 | 0 | 100 | 284.323 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
