| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 32 | 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) | 3.39 | 9.77 | -13.4 | 3 | 8 | 0 | 105 | 424.464 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 9.44 | -44.88 | 2 | 8 | -1 | 107 | 423.456 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 8.97 | -41.87 | 2 | 8 | -1 | 111 | 423.456 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 9.95 | -35.99 | 4 | 8 | 1 | 110 | 425.472 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 10.05 | -43.73 | 4 | 8 | 1 | 106 | 425.472 | 4 | ↓ |
