In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 18 | Yes |
Popular Name: [3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl]methanamine [3-(2-methoxyphenyl)-[1,2,4]tria…
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) | 1.20 | 3.91 | -70.66 | 3 | 6 | 1 | 80 | 262.318 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.20 | 3.51 | -16.15 | 2 | 6 | 0 | 78 | 261.31 | 3 | ↓ |