| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2004 | 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) | 2.24 | 8.49 | -18.31 | 2 | 8 | 0 | 102 | 430.559 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 6.86 | -46.42 | 1 | 8 | -1 | 108 | 429.551 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 4.2 | -40.23 | 3 | 8 | 1 | 110 | 431.567 | 8 | ↓ |
