| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2008 | 29 | No |
None
| 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) | 4.48 | 9.63 | -28.97 | 1 | 5 | 0 | 61 | 433.335 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 7.3 | -36.95 | 0 | 5 | -1 | 60 | 432.327 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.48 | 8.82 | -44.25 | 2 | 5 | 1 | 58 | 434.343 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.48 | 9.61 | -42.78 | 1 | 5 | 0 | 61 | 433.335 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.48 | 6.5 | -10.78 | 1 | 5 | 0 | 57 | 433.335 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.48 | 8.84 | -45.6 | 2 | 5 | 1 | 58 | 434.343 | 4 | ↓ |
