| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2006 | 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) | 3.35 | 11.44 | -56.86 | 1 | 5 | 0 | 65 | 396.462 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 8.91 | -46.68 | 0 | 5 | -1 | 64 | 395.454 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 10.63 | -46.18 | 2 | 5 | 1 | 62 | 397.47 | 6 | ↓ |
