| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 24 | Yes |
Popular Name: 2-[[(4S)-2-(3,4-dimethoxyanilino)-4H-purin-6-yl]amino]ethanol 2-[[(4S)-2-(3,4-dimethoxyanilino…
| 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) | -0.08 | 1.46 | -42.62 | 4 | 9 | 1 | 114 | 331.356 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.08 | -0.07 | -37.96 | 2 | 9 | -1 | 114 | 329.34 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.08 | -0.08 | -38.36 | 2 | 9 | -1 | 114 | 329.34 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.08 | -0.82 | -107.21 | 1 | 9 | -2 | 116 | 328.332 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 0.69 | -13.54 | 3 | 9 | 0 | 112 | 330.348 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 0.68 | -27.92 | 3 | 9 | 0 | 116 | 330.348 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.08 | 0.93 | -37.17 | 4 | 9 | 1 | 114 | 331.356 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
