| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 34 | 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) | 3.23 | 9.83 | -66 | 0 | 7 | -1 | 96 | 457.437 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 8.16 | -37.24 | 1 | 7 | 0 | 93 | 458.445 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 9.13 | -26.15 | 0 | 7 | 0 | 90 | 458.445 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 8.44 | -52.94 | 2 | 7 | 1 | 94 | 459.453 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.65 | 9.41 | -46.76 | 1 | 7 | 1 | 91 | 459.453 | 6 | ↓ |
