| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2006 | 30 | Yes |
| 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 | 8.4 | -15.96 | 2 | 6 | 0 | 82 | 396.45 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 8.98 | -46.83 | 0 | 6 | -1 | 81 | 395.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 8.74 | -59.03 | 0 | 6 | -1 | 81 | 395.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 9.54 | -40.01 | 1 | 6 | -1 | 85 | 395.442 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 9.17 | -55.69 | 1 | 6 | -1 | 85 | 395.442 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | -2.13 | -38.19 | 3 | 6 | 1 | 83 | 397.458 | 4 | ↓ |
