| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 26 | No |
None
| 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) | 3.87 | 4.49 | -96.25 | 1 | 6 | -2 | 101 | 496.136 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.87 | 5.29 | -183.19 | 0 | 6 | -3 | 104 | 495.128 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | 3.7 | -55.01 | 2 | 6 | -1 | 98 | 497.144 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 4.78 | -19.88 | 3 | 6 | 0 | 95 | 498.152 | 2 | ↓ |
