| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 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) | 2.73 | 10.52 | -76.07 | 1 | 7 | 0 | 87 | 437.54 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 7.98 | -59.83 | 0 | 7 | -1 | 86 | 436.532 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 10.23 | -44.95 | 2 | 7 | 1 | 84 | 438.548 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 10.2 | -45.62 | 1 | 7 | 1 | 81 | 438.548 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 10.49 | -112.38 | 2 | 7 | 2 | 82 | 439.556 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 10.53 | -107.37 | 3 | 7 | 2 | 85 | 439.556 | 8 | ↓ |
