| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 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) | 3.76 | 11.32 | -66.6 | 1 | 6 | 0 | 74 | 440.515 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 9.11 | -56.41 | 0 | 6 | -1 | 73 | 439.507 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.20 | 10.17 | -56.03 | 2 | 6 | 1 | 71 | 441.523 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 11.19 | -55.7 | 1 | 6 | 1 | 68 | 441.523 | 9 | ↓ |
