| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 30th, 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) | 2.33 | 6.35 | -12.33 | 1 | 8 | 0 | 97 | 496.614 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 4.39 | -46.06 | 0 | 8 | -1 | 103 | 495.606 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | 6.96 | -39.31 | 1 | 8 | 0 | 104 | 496.614 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | 4.71 | -47.21 | 0 | 8 | -1 | 103 | 495.606 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 8.9 | -54.58 | 2 | 8 | 1 | 98 | 497.622 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 8.63 | -47.22 | 2 | 8 | 1 | 98 | 497.622 | 7 | ↓ |
