In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 25 | Yes |
Popular Name: 4-[2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine 4-[2-[[5-(1,3-benzodioxol-5-yl)-…
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) | 2.64 | 6.08 | -10.94 | 0 | 7 | 0 | 62 | 362.455 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 8.35 | -45.25 | 1 | 7 | 1 | 63 | 363.463 | 6 | ↓ |