| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 36 | No |
| 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) | 4.65 | 13.46 | -71.52 | 1 | 6 | 0 | 74 | 488.559 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.65 | 10.92 | -57.99 | 0 | 6 | -1 | 73 | 487.551 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 14.16 | -50.23 | 1 | 6 | 1 | 68 | 489.567 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.65 | 13.8 | -47.44 | 2 | 6 | 1 | 71 | 489.567 | 9 | ↓ |
