| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 38 | 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) | 6.27 | 12.19 | -12.87 | 2 | 7 | 0 | 88 | 511.622 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.04 | 12.93 | -47.04 | 0 | 7 | -1 | 87 | 510.614 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.04 | 12.47 | -55.61 | 0 | 7 | -1 | 87 | 510.614 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.27 | 12.99 | -42.5 | 1 | 7 | -1 | 91 | 510.614 | 9 | ↓ |
