| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 33 | 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) | 4.75 | 10.67 | -58.42 | 0 | 7 | -1 | 96 | 459.503 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 0.35 | -12.71 | 0 | 7 | 0 | 89 | 460.511 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.75 | 9.86 | -16.06 | 1 | 7 | 0 | 93 | 460.511 | 6 | ↓ |
