| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 33 | No |
| 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) | 2.60 | 8.13 | -76.31 | 1 | 8 | 0 | 93 | 458.486 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 5.6 | -57.67 | 0 | 8 | -1 | 91 | 457.478 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 6.93 | -61.12 | 2 | 8 | 1 | 90 | 459.494 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 7.91 | -66.51 | 1 | 8 | 1 | 87 | 459.494 | 9 | ↓ |
