In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 28 | Yes |
Popular Name: 4-[2-[[4-ethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine 4-[2-[[4-ethyl-5-(3,4,5-trimetho…
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) | 2.38 | 6.56 | -14 | 0 | 8 | 0 | 71 | 408.524 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 8.84 | -49.39 | 1 | 8 | 1 | 72 | 409.532 | 9 | ↓ |