| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 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) | 3.54 | 4.86 | -48.03 | 3 | 3 | 1 | 40 | 374.368 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 4.9 | -2.41 | 2 | 3 | 0 | 38 | 373.36 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.54 | 6.68 | -116.15 | 4 | 3 | 2 | 41 | 375.376 | 4 | ↓ |
