| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 31 | 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) | 4.18 | 11.32 | -72 | 3 | 6 | 2 | 54 | 417.557 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 9.16 | -18.12 | 1 | 6 | 0 | 52 | 415.541 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 10.47 | -31.96 | 2 | 6 | 1 | 56 | 416.549 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 8.73 | -25.02 | 2 | 6 | 1 | 57 | 416.549 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 11.56 | -47.97 | 2 | 6 | 1 | 53 | 416.549 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 8.91 | -27.3 | 2 | 6 | 1 | 53 | 416.549 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.18 | 11.51 | -87.18 | 3 | 6 | 2 | 54 | 417.557 | 4 | ↓ |
