| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 34 | 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) | 1.78 | 6.72 | -71.33 | 1 | 9 | 0 | 111 | 487.578 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 4.17 | -58.99 | 0 | 9 | -1 | 110 | 486.57 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.12 | -58.47 | 2 | 9 | 1 | 109 | 488.586 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 7.42 | -55.68 | 1 | 9 | 1 | 106 | 488.586 | 9 | ↓ |
