| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 18 | Yes |
Popular Name: (2R,3S)-2-amino-3-[[(1S)-2-hydroxy-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]butanoic (2R,3S)-2-amino-3-[[(1S)-2-hydro…
| 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) | -4.75 | 2.31 | -69.16 | 6 | 8 | 0 | 150 | 256.262 | 7 | ↓ |
| Hi High (pH 8-9.5) | -4.75 | 1.48 | -103.63 | 4 | 8 | -2 | 147 | 254.246 | 7 | ↓ |
| Hi High (pH 8-9.5) | -4.75 | 1.28 | -111.48 | 4 | 8 | -2 | 147 | 254.246 | 7 | ↓ |
| Hi High (pH 8-9.5) | -4.75 | 2.78 | -67.53 | 5 | 8 | -1 | 152 | 255.254 | 7 | ↓ |
| Hi High (pH 8-9.5) | -4.75 | 2.34 | -59.93 | 5 | 8 | -1 | 152 | 255.254 | 7 | ↓ |
| Mid Mid (pH 6-8) | -4.75 | 1.8 | -76.65 | 5 | 8 | -1 | 149 | 255.254 | 7 | ↓ |
| Mid Mid (pH 6-8) | -4.75 | 1.79 | -79.3 | 5 | 8 | -1 | 149 | 255.254 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -4.75 | 3.35 | -103.69 | 7 | 8 | 1 | 154 | 257.27 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4743614 | IBM Patent Data |
