| 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) | 1.25 | 1.28 | -47.65 | 3 | 4 | 1 | 43 | 294.463 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 3.25 | -37.26 | 3 | 4 | 1 | 43 | 294.463 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 3.64 | -106.37 | 4 | 4 | 2 | 45 | 295.471 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 5.21 | -216.32 | 5 | 4 | 3 | 46 | 296.479 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 2.86 | -124.77 | 4 | 4 | 2 | 45 | 295.471 | 2 | ↓ |
