In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2011 | 24 | Yes |
Popular Name: 2-isopropyl-4-[[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]thiazole 2-isopropyl-4-[[4-([1,2,4]triazo…
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) | 1.71 | 7.96 | -14.05 | 0 | 7 | 0 | 62 | 343.46 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.71 | 10.18 | -53.49 | 1 | 7 | 1 | 64 | 344.468 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.