| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 31 | No |
Popular Name: (2S)-2-[(hydroxy-methoxy-methyl-BLAHyl)amino]-4-methylsulfanyl-butanoic (2S)-2-[(hydroxy-methoxy-methyl-…
| 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) | 0.27 | 6.58 | -77.47 | 4 | 7 | 1 | 100 | 449.593 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.27 | 3.98 | -63.06 | 2 | 7 | -1 | 94 | 447.577 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.27 | 5.7 | -92.12 | 3 | 7 | 0 | 95 | 448.585 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | 4.84 | -34.79 | 3 | 7 | 0 | 99 | 448.585 | 7 | ↓ |
