| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2009 | 36 | 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) | 1.11 | 9.88 | -54.92 | 2 | 8 | -1 | 117 | 485.516 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 8.57 | -48.65 | 3 | 8 | 0 | 121 | 486.524 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 7.37 | -68.89 | 2 | 8 | -1 | 128 | 485.516 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 10.93 | -43.83 | 3 | 8 | 0 | 121 | 486.524 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 8.53 | -74.97 | 2 | 8 | -1 | 128 | 485.516 | 8 | ↓ |
