| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 22 | Yes |
Popular Name: 2-[[(4S)-2-(4-methoxyanilino)-4H-purin-6-yl]amino]ethanol 2-[[(4S)-2-(4-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) | 0.33 | 1.55 | -39.45 | 4 | 8 | 1 | 105 | 301.33 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.33 | 0.01 | -36.62 | 2 | 8 | -1 | 105 | 299.314 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.33 | 0.78 | -11.14 | 3 | 8 | 0 | 103 | 300.322 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.33 | 0.77 | -25.45 | 3 | 8 | 0 | 107 | 300.322 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.33 | 1.01 | -32.69 | 4 | 8 | 1 | 105 | 301.33 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
