| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 39 | 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) | 6.17 | 16.25 | -69.31 | 1 | 6 | 0 | 74 | 526.677 | 12 | ↓ |
| Hi High (pH 8-9.5) | 6.17 | 14.05 | -60.28 | 0 | 6 | -1 | 73 | 525.669 | 12 | ↓ |
| Mid Mid (pH 6-8) | 6.62 | 15.13 | -55.12 | 2 | 6 | 1 | 71 | 527.685 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.59 | 16.14 | -56.29 | 1 | 6 | 1 | 68 | 527.685 | 12 | ↓ |
