| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 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 | 11.13 | -71.06 | 1 | 5 | 0 | 65 | 433.335 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 8.6 | -57.7 | 0 | 5 | -1 | 64 | 432.327 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 10.02 | -57.85 | 2 | 5 | 1 | 62 | 434.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.56 | 11.04 | -59.44 | 1 | 5 | 1 | 59 | 434.343 | 6 | ↓ |
