| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2004 | 34 | 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) | 4.42 | 14.7 | -22.9 | 1 | 8 | 0 | 91 | 453.502 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.49 | 13.47 | -56.58 | 1 | 8 | -1 | 100 | 452.494 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.43 | 15.43 | -35.46 | 3 | 8 | 1 | 95 | 454.51 | 6 | ↓ |
