| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 37 | 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) | 1.82 | 8.59 | -167.24 | 5 | 9 | 3 | 87 | 510.707 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 5.53 | -10.97 | 2 | 9 | 0 | 84 | 507.683 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 5.76 | -22.1 | 3 | 9 | 1 | 85 | 508.691 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 8.12 | -81.43 | 4 | 9 | 2 | 86 | 509.699 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 8.82 | -258.45 | 6 | 9 | 4 | 88 | 511.715 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 6.44 | -78.3 | 4 | 9 | 2 | 86 | 509.699 | 10 | ↓ |
