| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2006 | 27 | 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) | 2.54 | 4.14 | -16.58 | 3 | 6 | 0 | 89 | 381.457 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 4.48 | -62.22 | 1 | 6 | -1 | 88 | 380.449 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 4.77 | -55.19 | 1 | 6 | -1 | 88 | 380.449 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 5.1 | -46.77 | 2 | 6 | -1 | 92 | 380.449 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 4.9 | -57.09 | 2 | 6 | -1 | 92 | 380.449 | 5 | ↓ |
