| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2006 | 27 | 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) | 3.01 | 11.22 | -15.99 | 1 | 9 | 0 | 119 | 389.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 10.94 | -40.62 | 0 | 9 | -1 | 120 | 388.429 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 11.28 | -33 | 2 | 9 | 1 | 124 | 390.445 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 7.69 | -10.09 | 1 | 6 | 0 | 72 | 398.846 | 3 | ↓ |
