| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 34 | 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) | 1.91 | 6.52 | -140.3 | 0 | 8 | -2 | 109 | 457.486 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 5.63 | -59.97 | 1 | 8 | -1 | 106 | 458.494 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 8.86 | -136.27 | 1 | 8 | -1 | 110 | 458.494 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 7.66 | -57.78 | 3 | 8 | 1 | 104 | 460.51 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 7.97 | -70.18 | 2 | 8 | 0 | 107 | 459.502 | 6 | ↓ |
