| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 29 | 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) | 4.14 | 11.53 | -76.49 | 1 | 5 | 0 | 65 | 433.335 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 9 | -57.32 | 0 | 5 | -1 | 64 | 432.327 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 11.76 | -50.73 | 2 | 5 | 1 | 62 | 434.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.56 | 11.78 | -50.66 | 1 | 5 | 1 | 59 | 434.343 | 6 | ↓ |
