In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 1st, 2008 | 28 | Yes |
Popular Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-[2-(1-piperidyl)ethylsulfanyl]thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-2-methy…
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) | 3.90 | 9.13 | -40.82 | 1 | 6 | 1 | 62 | 415.564 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.90 | 6.91 | -12.18 | 0 | 6 | 0 | 60 | 414.556 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.