| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 32 | 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) | 3.78 | 11.45 | -14.02 | 2 | 8 | 0 | 94 | 444.52 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 10.23 | -13.09 | 2 | 8 | 0 | 101 | 444.52 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 11.28 | -48.72 | 1 | 8 | -1 | 96 | 443.512 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.14 | 10.26 | -14.04 | 2 | 8 | 0 | 101 | 444.52 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.96 | 12.02 | -36.42 | 3 | 8 | 1 | 99 | 445.528 | 5 | ↓ |
