| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 30 | No |
None
None
| 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) | 3.30 | 8.08 | -41.39 | 2 | 6 | 1 | 61 | 408.522 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 8.82 | -52.49 | 1 | 6 | 0 | 64 | 407.514 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 5.82 | -8.99 | 1 | 6 | 0 | 60 | 407.514 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 6.54 | -44.96 | 0 | 6 | -1 | 63 | 406.506 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.30 | 8.87 | -118.24 | 3 | 6 | 0 | 63 | 409.53 | 5 | ↓ |
