| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 29 | 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) | 2.46 | 5.5 | -23.06 | 0 | 6 | 0 | 76 | 430.551 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 7.61 | -50.73 | 1 | 6 | 1 | 78 | 431.559 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 8.15 | -51.33 | 1 | 6 | 1 | 78 | 431.559 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 6.9 | -51.27 | 1 | 6 | 1 | 78 | 431.559 | 5 | ↓ |
