| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2007 | 29 | No |
| 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) | 3.91 | 4.21 | -46.09 | 1 | 7 | -1 | 104 | 458.288 | 4 | ↓ |
| Ref Reference (pH 7) | 3.91 | 4.31 | -45.22 | 1 | 7 | -1 | 104 | 458.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 5.13 | -101.59 | 0 | 7 | -2 | 107 | 457.28 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.91 | 5.93 | -103.86 | 0 | 7 | -2 | 107 | 457.28 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 6.92 | -13.08 | 2 | 7 | 0 | 101 | 459.296 | 4 | ↓ |
