| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 31 | Yes |
Popular Name: (2S)-4-amino-2-[(hydroxy-methoxy-methyl-BLAHyl)amino]-4-oxo-butanoic (2S)-4-amino-2-[(hydroxy-methoxy…
| 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) | -0.30 | 1.6 | -68.97 | 6 | 9 | 1 | 143 | 432.497 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.30 | -1.14 | -63.72 | 4 | 9 | -1 | 137 | 430.481 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.30 | -0.24 | -27.56 | 5 | 9 | 0 | 142 | 431.489 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.30 | 0.59 | -87.79 | 5 | 9 | 0 | 138 | 431.489 | 6 | ↓ |
