| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 37 | 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) | 3.57 | 7.86 | -16.02 | 2 | 9 | 0 | 110 | 520.973 | 7 | ↓ |
| Ref Reference (pH 7) | 3.57 | 7.21 | -14.63 | 2 | 9 | 0 | 110 | 520.973 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 8.21 | -50.76 | 0 | 9 | -1 | 109 | 519.965 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 7.87 | -55.82 | 0 | 9 | -1 | 109 | 519.965 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 8.26 | -39.92 | 1 | 9 | -1 | 113 | 519.965 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 7.98 | -50.34 | 1 | 9 | -1 | 113 | 519.965 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.57 | 7.57 | -40.11 | 3 | 9 | 1 | 111 | 521.981 | 7 | ↓ |
