| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2007 | 32 | 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) | 3.04 | 10.1 | -71.64 | 1 | 7 | 0 | 87 | 437.54 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 7.55 | -60.7 | 0 | 7 | -1 | 86 | 436.532 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 10.34 | -46.47 | 1 | 7 | 1 | 81 | 438.548 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 9.71 | -44.76 | 2 | 7 | 1 | 84 | 438.548 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 10.01 | -116.55 | 3 | 7 | 2 | 85 | 439.556 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 10.63 | -109.48 | 2 | 7 | 2 | 82 | 439.556 | 10 | ↓ |
