| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 35 | 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) | 3.83 | 13.71 | -81.53 | 2 | 7 | 2 | 46 | 477.701 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 11.12 | -10.68 | 0 | 7 | 0 | 43 | 475.685 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 11.36 | -21.48 | 1 | 7 | 1 | 44 | 476.693 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 14.31 | -146.34 | 3 | 7 | 3 | 47 | 478.709 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 15.47 | -265.73 | 4 | 7 | 4 | 48 | 479.717 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 14.97 | -172.12 | 3 | 7 | 3 | 47 | 478.709 | 8 | ↓ |
