| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 31 | Yes |
Popular Name: (2S)-2-[(hydroxy-methoxy-methyl-BLAHyl)amino]butanedioic (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) | -1.01 | 5.41 | -85.28 | 4 | 9 | 0 | 140 | 432.473 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.01 | 4.37 | -141.84 | 3 | 9 | -1 | 135 | 431.465 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.01 | 2.68 | -128.19 | 2 | 9 | -2 | 134 | 430.457 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.01 | 3.67 | -54.23 | 3 | 9 | -1 | 139 | 431.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.01 | 3.33 | -68.61 | 5 | 9 | 1 | 137 | 433.481 | 6 | ↓ |
