| 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 | 10.72 | -56.6 | 0 | 5 | -1 | 73 | 438.29 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | -0.78 | -12.13 | 0 | 5 | 0 | 67 | 439.298 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.34 | -0.4 | -41.89 | 2 | 5 | 1 | 71 | 440.306 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | -0.67 | -41.55 | 1 | 5 | 1 | 68 | 440.306 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.90 | 9.89 | -15.95 | 1 | 5 | 0 | 71 | 439.298 | 5 | ↓ |
