In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 21 | Yes |
Popular Name: N-[[6-(4-isobutylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine N-[[6-(4-isobutylpiperazin-1-yl)…
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) | 2.15 | 8.56 | -88.52 | 3 | 5 | 2 | 50 | 293.459 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.15 | 6.72 | -41.39 | 2 | 5 | 1 | 49 | 292.451 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.15 | 5.36 | -6.48 | 1 | 5 | 0 | 44 | 291.443 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.