In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 12 | Yes |
Popular Name: (1S)-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine (1S)-1-(3-methyl-[1,2,4]triazolo…
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) | -2.15 | 1.89 | -63.22 | 3 | 5 | 1 | 71 | 184.248 | 1 | ↓ |
Hi High (pH 8-9.5) | -2.15 | 1.57 | -10.99 | 2 | 5 | 0 | 69 | 183.24 | 1 | ↓ |