| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 14 | Yes |
Popular Name: 3-[[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]amino]propanoic 3-[[(1S)-1-methyl-2-oxo-2-(prop-…
| 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) | -0.79 | 2.5 | -47.55 | 3 | 5 | 0 | 86 | 198.222 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.60 | 0.04 | -55.46 | 2 | 5 | -1 | 92 | 197.214 | 6 | ↓ |
