| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2007 | 27 | Yes |
| 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) | 3.17 | 4.8 | -12.24 | 3 | 6 | 0 | 89 | 428.286 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 4.62 | -57.02 | 1 | 6 | -1 | 88 | 427.278 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 4.61 | -52.61 | 1 | 6 | -1 | 88 | 427.278 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 5.58 | -47.35 | 2 | 6 | -1 | 92 | 427.278 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 5.55 | -51.47 | 2 | 6 | -1 | 92 | 427.278 | 5 | ↓ |
