In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2010 | 39 | No |
Popular Name: 6-[2-(2-carboxyethyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]hexanoic 6-[2-(2-carboxyethyl)-3,5-dimeth…
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) | 9.17 | 23.93 | -100.94 | 0 | 6 | -2 | 102 | 545.805 | 26 | ↓ |
Lo Low (pH 4.5-6) | 9.17 | 21.96 | -50 | 1 | 6 | -1 | 99 | 546.813 | 26 | ↓ |