| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 30 | 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) | 2.05 | 9.07 | -73.39 | 1 | 7 | 0 | 87 | 409.486 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 6.53 | -55.79 | 0 | 7 | -1 | 86 | 408.478 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 9.43 | -59.11 | 1 | 7 | 1 | 81 | 410.494 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 9.71 | -123.74 | 2 | 7 | 2 | 82 | 411.502 | 9 | ↓ |
