| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 22 | Yes |
Popular Name: 5,6-dimethyl-3-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]pyridazine-4-carbonitrile 5,6-dimethyl-3-[methyl-[3-(4-met…
| 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) | 1.32 | 7.15 | -36.69 | 1 | 6 | 1 | 60 | 303.434 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 7.04 | -36.69 | 1 | 6 | 1 | 60 | 303.434 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 4.78 | -7.86 | 0 | 6 | 0 | 59 | 302.426 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 7.27 | -79.9 | 2 | 6 | 2 | 62 | 304.442 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
