| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | Yes |
Popular Name: 3-methyl-N2-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,5-diamine 3-methyl-N2-[2-(4-methylpiperazi…
| 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) | 0.85 | 3.2 | -74.16 | 5 | 5 | 2 | 60 | 251.378 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 0.48 | -6.04 | 3 | 5 | 0 | 57 | 249.362 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 2.85 | -36.41 | 4 | 5 | 1 | 59 | 250.37 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
