| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 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) | 5.22 | 11.1 | -17.22 | 2 | 7 | 0 | 88 | 503.986 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.20 | 11.23 | -43.1 | 0 | 7 | -1 | 87 | 502.978 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.20 | 10.76 | -52.74 | 0 | 7 | -1 | 87 | 502.978 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.22 | 11.28 | -37.68 | 1 | 7 | -1 | 91 | 502.978 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.22 | 11.2 | -50.24 | 1 | 7 | -1 | 91 | 502.978 | 7 | ↓ |
