In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 25th, 2009 | 41 | No |
265121-04-8; D06597; Fosaprepitant dimeglumine (USAN); Fosaprepitant meglumine (JAN); Proemend (TN)
Fosaprepitant (INN); Fosaprepitant Dimeglumine (FDA
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) | 2.96 | 6.36 | -65.72 | 2 | 10 | -1 | 133 | 613.403 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 7.51 | -154.73 | 1 | 10 | -2 | 136 | 612.395 | 9 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 6.32e-03 g/l | DrugBank-approved |
No pre-computed analogs available. Try a structural similarity search.