| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 29 | Yes |
| 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) | 3.27 | 6.46 | -13.66 | 2 | 7 | 0 | 88 | 393.443 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 6.8 | -59.65 | 0 | 7 | -1 | 87 | 392.435 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 7.03 | -46.8 | 0 | 7 | -1 | 87 | 392.435 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 7.48 | -45.09 | 1 | 7 | -1 | 91 | 392.435 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 7.22 | -53.31 | 1 | 7 | -1 | 91 | 392.435 | 6 | ↓ |
