| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | No |
Popular Name: (2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-3-(ethylamino)propan-2-ol (2S)-1-[[(3R)-1,1-dioxothiolan-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) | -0.97 | -0.32 | -123.53 | 4 | 5 | 2 | 75 | 252.38 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | -4.26 | -12.57 | 2 | 5 | 0 | 70 | 250.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | -2.89 | -51.25 | 3 | 5 | 1 | 74 | 251.372 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.97 | 0.22 | -57.56 | 3 | 5 | 1 | 78 | 251.372 | 6 | ↓ |
