In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2010 | 21 | Yes |
Popular Name: 2-[4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperazin-1-yl]-N-ethyl-acetamide 2-[4-[2-(3-amino-1,2,4-triazol-1…
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) | -1.51 | 2.73 | -26.39 | 3 | 9 | 0 | 109 | 295.347 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.51 | 4.88 | -64.15 | 4 | 9 | 1 | 111 | 296.355 | 5 | ↓ |