| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 25 | Yes |
Popular Name: 9-[3-[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]propyl]purin-6-amine 9-[3-[(3S)-4-(2-ethoxyethyl)-3-m…
| 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) | 1.19 | 7.31 | -46.27 | 3 | 8 | 1 | 87 | 348.475 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 5.08 | -11.41 | 2 | 8 | 0 | 85 | 347.467 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 7.31 | -39.35 | 3 | 8 | 1 | 87 | 348.475 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
