In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 24 | Yes |
Popular Name: 6-[(2S)-2-methyl-4-[2-(4-pyridyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[(2S)-2-methyl-4-[2-(4-pyridyl…
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) | 1.22 | 10.93 | -65.76 | 1 | 7 | 1 | 64 | 324.412 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 8.71 | -14.87 | 0 | 7 | 0 | 62 | 323.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.