| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 16 | No |
Popular Name: Shikimate-3-Phosphate Shikimate-3-Phosphate
| 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) | -2.24 | -1.71 | -209.27 | 2 | 8 | -3 | 153 | 251.107 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.24 | -2.74 | -105.38 | 3 | 8 | -2 | 150 | 252.115 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.24 | -4.74 | -52.34 | 4 | 8 | -1 | 147 | 253.123 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.10e+01 g/l | DrugBank-experimental |
