| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 39 | 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) | 4.08 | 12.75 | -58.24 | 1 | 8 | 0 | 93 | 530.621 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 10.21 | -46.55 | 0 | 8 | -1 | 91 | 529.613 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 1.67 | -51.81 | 1 | 8 | 1 | 86 | 531.629 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 11.9 | -47.14 | 2 | 8 | 1 | 90 | 531.629 | 10 | ↓ |
