| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 35 | 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) | 6.22 | 18.48 | -98.1 | 2 | 5 | 2 | 30 | 475.725 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.22 | 14.21 | -5.73 | 0 | 5 | 0 | 28 | 473.709 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.22 | 16.54 | -45.43 | 1 | 5 | 1 | 29 | 474.717 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.22 | 16.18 | -36.36 | 1 | 5 | 1 | 29 | 474.717 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 6.22 | 18.43 | -189.38 | 3 | 5 | 3 | 31 | 476.733 | 9 | ↓ |
