| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2008 | 27 | 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) | 2.46 | 6.35 | -20.16 | 1 | 7 | 0 | 79 | 388.493 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 7.47 | -37.76 | 1 | 7 | 0 | 86 | 388.493 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 7.74 | -39.7 | 2 | 7 | 1 | 83 | 389.501 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 5.63 | -51.11 | 0 | 7 | -1 | 85 | 387.485 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 8.52 | -54.96 | 2 | 7 | 1 | 80 | 389.501 | 4 | ↓ |
