| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 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) | 1.70 | 6.88 | -61.64 | 0 | 7 | -1 | 86 | 407.446 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 9.26 | -73.07 | 1 | 7 | 0 | 87 | 408.454 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 8.93 | -53.66 | 1 | 7 | 0 | 87 | 408.454 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 8.3 | -50.09 | 2 | 7 | 1 | 84 | 409.462 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 5.99 | -13.88 | 1 | 7 | 0 | 83 | 408.454 | 7 | ↓ |
