In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 22 | Yes |
Popular Name: 6-[4-(3-pyridylmethyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-(3-pyridylmethyl)piperazin-…
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) | 0.54 | 7.01 | -14.19 | 0 | 7 | 0 | 62 | 295.35 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.54 | 9.23 | -60.8 | 1 | 7 | 1 | 64 | 296.358 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.