| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2010 | 40 | 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) | -5.77 | -17.27 | -412.27 | 21 | 17 | 5 | 315 | 585.676 | 8 | ↓ |
| Hi High (pH 8-9.5) | -5.77 | -19.4 | -114.68 | 18 | 17 | 2 | 307 | 582.652 | 8 | ↓ |
| Hi High (pH 8-9.5) | -5.77 | -19.16 | -143.19 | 18 | 17 | 2 | 307 | 582.652 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.77 | -17.52 | -265.05 | 20 | 17 | 4 | 313 | 584.668 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.77 | -17.71 | -311.88 | 20 | 17 | 4 | 313 | 584.668 | 8 | ↓ |
