| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2009 | 31 | 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) | -0.60 | 0.06 | -19.84 | 6 | 9 | 0 | 161 | 426.425 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.60 | 1.88 | -149.13 | 4 | 9 | -2 | 167 | 424.409 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.60 | 0.78 | -67.84 | 5 | 9 | -1 | 164 | 425.417 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.60 | 2.36 | -43.42 | 6 | 9 | 0 | 165 | 426.425 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.60 | 1.65 | -45.62 | 7 | 9 | 1 | 163 | 427.433 | 1 | ↓ |
