| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 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) | 1.25 | 7.22 | -58.5 | 0 | 8 | -1 | 105 | 417.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 5.24 | -30.27 | 1 | 8 | 0 | 102 | 418.405 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 6.22 | -27.67 | 0 | 8 | 0 | 99 | 418.405 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 5.53 | -56.43 | 2 | 8 | 1 | 103 | 419.413 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 6.51 | -56.2 | 1 | 8 | 1 | 100 | 419.413 | 5 | ↓ |
