| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2010 | 21 | 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) | 1.47 | 6.42 | -37.88 | 3 | 3 | 1 | 40 | 291.459 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 6.01 | -2.63 | 2 | 3 | 0 | 38 | 290.451 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 8.19 | -120.07 | 4 | 3 | 2 | 41 | 292.467 | 8 | ↓ |
