| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2007 | 31 | 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) | 3.88 | 11.28 | -72.95 | 1 | 6 | 0 | 74 | 442.943 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.88 | 8.75 | -55 | 0 | 6 | -1 | 73 | 441.935 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 11.55 | -48.6 | 1 | 6 | 1 | 68 | 443.951 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 10.95 | -44.93 | 2 | 6 | 1 | 71 | 443.951 | 7 | ↓ |
