| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 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) | 1.16 | 8.02 | -78.35 | 1 | 8 | 0 | 96 | 411.458 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 5.48 | -61.35 | 0 | 8 | -1 | 95 | 410.45 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 6.64 | -62.61 | 2 | 8 | 1 | 93 | 412.466 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 7.87 | -67.58 | 1 | 8 | 1 | 90 | 412.466 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 6.92 | -120.17 | 3 | 8 | 2 | 95 | 413.474 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.58 | 8.14 | -124.01 | 2 | 8 | 2 | 91 | 413.474 | 8 | ↓ |
