| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 15 | Yes |
Popular Name: 4-[[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]amino]butanoic 4-[[(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) | -0.52 | 3.3 | -59.77 | 3 | 5 | 0 | 86 | 212.249 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.33 | 0.84 | -65.71 | 2 | 5 | -1 | 92 | 211.241 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.52 | 2.05 | -50.46 | 2 | 5 | -1 | 81 | 211.241 | 7 | ↓ |
