| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 31 | 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) | 4.76 | 12.45 | -66.94 | 1 | 5 | 0 | 65 | 440.609 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.76 | 10.23 | -59.94 | 0 | 5 | -1 | 64 | 439.601 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.21 | 11.33 | -48.34 | 2 | 5 | 1 | 62 | 441.617 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 12.3 | -42.94 | 1 | 5 | 1 | 59 | 441.617 | 9 | ↓ |
