| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 18 | 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) | 1.88 | 7.17 | -53.14 | 3 | 3 | 1 | 45 | 238.314 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 6.57 | -8.87 | 2 | 3 | 0 | 44 | 237.306 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 7.65 | -111.47 | 4 | 3 | 2 | 47 | 239.322 | 3 | ↓ |
