| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2010 | 18 | 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) | 4.45 | 6.83 | -47.5 | 1 | 4 | -1 | 65 | 462.008 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.45 | 6.41 | -110.86 | 0 | 4 | -2 | 63 | 461 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 4.45 | 6.12 | -7.99 | 2 | 4 | 0 | 62 | 463.016 | 1 | ↓ |
