| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 2007 | 36 | 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) | 6.32 | 14.79 | -68.25 | 1 | 6 | 0 | 74 | 533.496 | 12 | ↓ |
| Hi High (pH 8-9.5) | 6.32 | 12.58 | -51.73 | 0 | 6 | -1 | 73 | 532.488 | 12 | ↓ |
| Mid Mid (pH 6-8) | 6.76 | 14.9 | -49.03 | 2 | 6 | 1 | 71 | 534.504 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.73 | 14.81 | -48.04 | 1 | 6 | 1 | 68 | 534.504 | 12 | ↓ |
