| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 27 | 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) | 4.14 | 13.61 | -17.28 | 1 | 5 | 0 | 60 | 394.525 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 12.95 | -44.18 | 0 | 5 | -1 | 61 | 393.517 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.31 | 13.29 | -43.87 | 0 | 5 | -1 | 61 | 393.517 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 13.89 | -31.12 | 2 | 5 | 1 | 65 | 395.533 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 13.51 | -13.05 | 1 | 5 | 0 | 63 | 394.525 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 13.8 | -12.98 | 1 | 5 | 0 | 63 | 394.525 | 4 | ↓ |
