| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 31 | 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) | 3.99 | 9.93 | -49.97 | 0 | 5 | -1 | 73 | 456.28 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 0.36 | -12.33 | 0 | 5 | 0 | 67 | 457.288 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.43 | 0.65 | -50.8 | 2 | 5 | 1 | 71 | 458.296 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.40 | 0.47 | -50.67 | 1 | 5 | 1 | 68 | 458.296 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.99 | 9.12 | -14.91 | 1 | 5 | 0 | 71 | 457.288 | 5 | ↓ |
