| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2005 | 29 | 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) | 2.07 | 2.66 | -18.34 | 3 | 8 | 0 | 108 | 395.415 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 3.11 | -56 | 1 | 8 | -1 | 107 | 394.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 3.29 | -57.45 | 1 | 8 | -1 | 107 | 394.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 3.66 | -41.53 | 2 | 8 | -1 | 111 | 394.407 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 3.43 | -58.71 | 2 | 8 | -1 | 111 | 394.407 | 6 | ↓ |
