| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2011 | 31 | No |
Popular Name: [(3S,4S)-3-ethyl-4-[3-[(2S)-2-methylaziridin-1-yl]propanoyloxymethyl]-5-propanoyloxy-pentyl] [(3S,4S)-3-ethyl-4-[3-[(2S)-2-me…
| 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) | 2.79 | 13.48 | -88.82 | 2 | 8 | 2 | 93 | 442.597 | 19 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 6.76 | -11.82 | 0 | 8 | 0 | 85 | 440.581 | 19 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 10.16 | -44.37 | 1 | 8 | 1 | 89 | 441.589 | 19 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 10.09 | -46.86 | 1 | 8 | 1 | 89 | 441.589 | 19 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
