| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | No |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanoic (2S)-2-amino-2-cyclopropyl-3-[[(…
| 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) | -2.53 | 2.36 | -89.25 | 4 | 6 | 1 | 106 | 277.366 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.53 | 0.42 | -55.09 | 2 | 6 | -1 | 104 | 275.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.53 | 2.03 | -45.97 | 3 | 6 | 0 | 105 | 276.358 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.53 | 0.42 | -44.33 | 3 | 6 | 0 | 105 | 276.358 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
