| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 34 | 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) | 4.14 | 8.81 | -15.45 | 2 | 7 | 0 | 91 | 454.53 | 6 | ↓ |
| Ref Reference (pH 7) | 4.14 | 8.73 | -15.26 | 2 | 7 | 0 | 91 | 454.53 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 9.58 | -43.2 | 1 | 7 | -1 | 94 | 453.522 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 9.71 | -61.58 | 0 | 7 | -1 | 90 | 453.522 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 9.73 | -53.51 | 0 | 7 | -1 | 90 | 453.522 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.14 | 9.84 | -45.84 | 3 | 7 | 1 | 93 | 455.538 | 6 | ↓ |
