| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 30 | 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) | 2.34 | 3.46 | -15.4 | 3 | 8 | 0 | 108 | 409.442 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 4.04 | -48.53 | 1 | 8 | -1 | 107 | 408.434 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 3.81 | -61.98 | 1 | 8 | -1 | 107 | 408.434 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 4.48 | -46.9 | 2 | 8 | -1 | 111 | 408.434 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 4.23 | -55.41 | 2 | 8 | -1 | 111 | 408.434 | 7 | ↓ |
