| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2008 | 27 | 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 | 6.77 | -29.22 | 1 | 6 | 0 | 74 | 365.433 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 4.41 | -41.43 | 0 | 6 | -1 | 73 | 364.425 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 6.74 | -46.32 | 1 | 6 | 0 | 74 | 365.433 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 6.43 | -48.05 | 2 | 6 | 1 | 71 | 366.441 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 3.8 | -9.02 | 1 | 6 | 0 | 70 | 365.433 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 6.3 | -49.92 | 2 | 6 | 1 | 71 | 366.441 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 6.76 | -109.95 | 3 | 6 | 2 | 72 | 367.449 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 6.64 | -92.58 | 3 | 6 | 2 | 72 | 367.449 | 3 | ↓ |
