| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2007 | 34 | 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) | 1.99 | 6.75 | -61.49 | 0 | 8 | -1 | 95 | 462.526 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 8.75 | -50.53 | 2 | 8 | 1 | 93 | 464.542 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 9.41 | -53.7 | 1 | 8 | 1 | 90 | 464.542 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 9.08 | -83.99 | 1 | 8 | 0 | 96 | 463.534 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 1.99 | 9.32 | -96.68 | 3 | 8 | 2 | 95 | 465.55 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 1.41 | 9.69 | -105.77 | 2 | 8 | 2 | 91 | 465.55 | 10 | ↓ |
