| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 30 | 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) | 0.99 | 4.81 | -90.64 | 4 | 8 | 0 | 111 | 421.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 5.72 | -56.52 | 3 | 8 | -1 | 107 | 420.44 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 9.57 | -163.26 | 5 | 8 | 1 | 112 | 422.456 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 6.34 | -42.14 | 5 | 8 | 1 | 105 | 422.456 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 5.81 | -85.56 | 4 | 8 | 0 | 108 | 421.448 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 7.57 | -129.35 | 6 | 8 | 2 | 110 | 423.464 | 5 | ↓ |
