| 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) | 2.97 | 4.18 | -13.19 | 3 | 7 | 0 | 99 | 393.443 | 5 | ↓ |
| Ref Reference (pH 7) | 2.97 | 4.16 | -12.59 | 3 | 7 | 0 | 99 | 393.443 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 4.88 | -42.59 | 2 | 7 | -1 | 102 | 392.435 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 4.53 | -48.03 | 1 | 7 | -1 | 98 | 392.435 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 4.09 | -60.73 | 1 | 7 | -1 | 98 | 392.435 | 5 | ↓ |
