| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 34 | Yes |
| 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) | 2.76 | 9 | -43.77 | 4 | 7 | 1 | 91 | 462.549 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.76 | 8.56 | -16.22 | 3 | 7 | 0 | 90 | 461.541 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.76 | 8.53 | -15.6 | 3 | 7 | 0 | 90 | 461.541 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 10.17 | -121.95 | 5 | 7 | 2 | 96 | 463.557 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 9.71 | -58.99 | 4 | 7 | 1 | 95 | 462.549 | 5 | ↓ |
