| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 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) | 2.02 | 9.57 | -69.18 | 1 | 8 | 0 | 92 | 440.544 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 7.03 | -57.05 | 0 | 8 | -1 | 91 | 439.536 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 8.49 | -64.35 | 2 | 8 | 1 | 89 | 441.552 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 9.46 | -58.28 | 1 | 8 | 1 | 86 | 441.552 | 8 | ↓ |
