| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 37 | 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) | 3.22 | 5.59 | -25.19 | 1 | 10 | 0 | 144 | 551.711 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 5.68 | -221.76 | 0 | 10 | -3 | 152 | 549.695 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 6.03 | -110.47 | 1 | 10 | -2 | 150 | 550.703 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 5.28 | -21.77 | 0 | 10 | 0 | 146 | 550.703 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 5.08 | -23.73 | 1 | 10 | 0 | 144 | 551.711 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 5.06 | -51.06 | 1 | 10 | -1 | 144 | 551.711 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 5.11 | -115.94 | 0 | 10 | -2 | 146 | 550.703 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.22 | 5.48 | -23.39 | 2 | 10 | 0 | 142 | 552.719 | 7 | ↓ |
