| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 28 | 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) | 1.12 | 1.46 | -62.21 | 2 | 8 | -1 | 117 | 384.364 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | -3.36 | -21.86 | 3 | 8 | 0 | 114 | 385.372 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | -3.33 | -21.23 | 2 | 8 | 0 | 111 | 385.372 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.12 | 0.64 | -21.73 | 3 | 8 | 0 | 114 | 385.372 | 6 | ↓ |
