| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 29 | 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) | 5.01 | 5.75 | -9.91 | 3 | 5 | 0 | 78 | 467.658 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.64 | 3.45 | -43.2 | 2 | 5 | -1 | 85 | 466.65 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.64 | 4.99 | -32.71 | 3 | 5 | 0 | 86 | 467.658 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.64 | 4.28 | -47.97 | 4 | 5 | 1 | 84 | 468.666 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.64 | 2.88 | -43.94 | 4 | 5 | 1 | 84 | 468.666 | 4 | ↓ |
