| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 21 | No |
Popular Name: (4S)-N6-(1,3-benzodioxol-5-ylmethyl)-4H-purine-2,6-diamine (4S)-N6-(1,3-benzodioxol-5-ylmet…
| 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) | 0.12 | 0.55 | -36.53 | 2 | 8 | -1 | 108 | 283.271 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 0.9 | -13.52 | 3 | 8 | 0 | 106 | 284.279 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.12 | 1.43 | -12.54 | 3 | 8 | 0 | 110 | 284.279 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
