| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 32 | 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) | 2.04 | 8.57 | -76.29 | 1 | 8 | 0 | 93 | 440.496 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 6.04 | -61.1 | 0 | 8 | -1 | 91 | 439.488 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 7.58 | -51.5 | 2 | 8 | 1 | 90 | 441.504 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 8.82 | -52.19 | 1 | 8 | 1 | 87 | 441.504 | 9 | ↓ |
