| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 41 | No |
Popular Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-[2-(4-propylpiperazin-1-yl)ethyl]benzamide 3-[[4-(4-phenoxyanilino)pyrimidi…
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| 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) | 6.16 | 14.49 | -45.99 | 4 | 9 | 1 | 96 | 552.703 | 12 | ↓ |
| Hi High (pH 8-9.5) | 6.16 | 12.22 | -14.33 | 3 | 9 | 0 | 95 | 551.695 | 12 | ↓ |
| Mid Mid (pH 6-8) | 6.16 | 14.48 | -49.72 | 4 | 9 | 1 | 96 | 552.703 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 6.16 | 14.93 | -81.33 | 5 | 9 | 2 | 97 | 553.711 | 12 | ↓ |
