| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2010 | 20 | Yes |
Popular Name: 5-amino-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide 5-amino-2-[2-(4-methylpiperazin-…
| 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) | -0.78 | -0.76 | -38.67 | 6 | 7 | 1 | 102 | 279.368 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | -3.13 | -9.87 | 5 | 7 | 0 | 101 | 278.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.78 | -0.88 | -34.87 | 6 | 7 | 1 | 102 | 279.368 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.78 | -0.4 | -79.08 | 7 | 7 | 2 | 103 | 280.376 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
