| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 12 | 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) | -2.62 | -5.75 | -13.51 | 4 | 6 | 0 | 101 | 171.156 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.62 | -5.76 | -14.92 | 4 | 6 | 0 | 101 | 171.156 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.62 | -4.48 | -52.51 | 5 | 6 | 1 | 106 | 172.164 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.44 | -6.96 | -40.74 | 4 | 6 | 0 | 112 | 171.156 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.62 | -4.48 | -52.48 | 5 | 6 | 1 | 106 | 172.164 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.44 | -6.96 | -40.74 | 4 | 6 | 0 | 112 | 171.156 | 3 | ↓ |
