| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 36 | 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) | 3.41 | 6.92 | -15.26 | 2 | 7 | 0 | 82 | 504.656 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 6.63 | -23.78 | 2 | 7 | 0 | 82 | 504.656 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 9.3 | -43.18 | 2 | 7 | 0 | 86 | 504.656 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 11.06 | -132.06 | 4 | 7 | 2 | 84 | 506.672 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 11.62 | -58.2 | 3 | 7 | 1 | 87 | 505.664 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 9.29 | -52.04 | 3 | 7 | 1 | 83 | 505.664 | 9 | ↓ |
