| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2008 | 29 | No |
| 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) | 3.75 | 6.33 | -102.87 | 0 | 9 | -2 | 144 | 458.224 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 8.76 | -44.86 | 1 | 9 | -1 | 141 | 459.232 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.29 | 7.75 | -15.04 | 2 | 9 | 0 | 138 | 460.24 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.75 | 5.21 | -51.68 | 1 | 9 | -1 | 141 | 459.232 | 3 | ↓ |
