| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 15 | Yes |
Popular Name: (2S)-2-amino-3-[methyl-[(1S)-1-(2-thienyl)ethyl]amino]propanoic (2S)-2-amino-3-[methyl-[(1S)-1-(…
| 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) | -1.15 | 2.69 | -42.94 | 3 | 4 | 0 | 71 | 228.317 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.15 | 2.86 | -41 | 2 | 4 | -1 | 69 | 227.309 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.15 | 4.58 | -37.43 | 3 | 4 | 0 | 71 | 228.317 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.15 | 4.89 | -72.35 | 4 | 4 | 1 | 72 | 229.325 | 5 | ↓ |
