| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2007 | 30 | 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) | 3.90 | 9.97 | -56.97 | 0 | 5 | -1 | 73 | 438.29 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 10.07 | -19.02 | 1 | 5 | 0 | 71 | 439.298 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.34 | 10.38 | -46.09 | 2 | 5 | 1 | 72 | 440.306 | 4 | ↓ |
