In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 19 | Yes |
Popular Name: 3-(4-pyridyl)-6-[(2S)-pyrrolidin-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(4-pyridyl)-6-[(2S)-pyrrolidin…
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) | 0.87 | 5.3 | -56.8 | 2 | 6 | 1 | 73 | 273.345 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.87 | 3.94 | -10.71 | 1 | 6 | 0 | 68 | 272.337 | 2 | ↓ |