| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 17 | No |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanenitrile (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) | -0.01 | -0.52 | -15.88 | 2 | 5 | 0 | 87 | 257.359 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.01 | -0.18 | -61.39 | 3 | 5 | 1 | 89 | 258.367 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.01 | 1.45 | -56.58 | 3 | 5 | 1 | 88 | 258.367 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
