In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2010 | 25 | Yes |
Popular Name: 6-(2,3-dimethoxyphenyl)-3-(1-piperidylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(2,3-dimethoxyphenyl)-3-(1-pip…
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) | 2.72 | 9.48 | -37.26 | 1 | 7 | 1 | 66 | 360.463 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.72 | 7.27 | -12.92 | 0 | 7 | 0 | 65 | 359.455 | 5 | ↓ |