| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 22 | Yes |
Popular Name: 2-[[(4R)-2-(3-methoxyanilino)-4H-purin-6-yl]amino]ethanol 2-[[(4R)-2-(3-methoxyanilino)-4H…
| 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) | 0.30 | 1.56 | -39.62 | 4 | 8 | 1 | 105 | 301.33 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | -0.91 | -110.55 | 1 | 8 | -2 | 107 | 298.306 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 0.06 | -49.46 | 2 | 8 | -1 | 105 | 299.314 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.30 | 0.78 | -27.37 | 3 | 8 | 0 | 107 | 300.322 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.30 | 0.79 | -12.81 | 3 | 8 | 0 | 103 | 300.322 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.30 | 1.06 | -36.64 | 4 | 8 | 1 | 105 | 301.33 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
