| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2007 | 33 | 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) | 3.74 | 8.74 | -14.1 | 2 | 7 | 0 | 91 | 440.503 | 5 | ↓ |
| Ref Reference (pH 7) | 3.74 | 8.7 | -11.9 | 2 | 7 | 0 | 91 | 440.503 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 9.51 | -49.43 | 1 | 7 | -1 | 94 | 439.495 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 8.55 | -58.03 | 0 | 7 | -1 | 90 | 439.495 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 8.73 | -55.04 | 0 | 7 | -1 | 90 | 439.495 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.74 | 8.2 | -40.05 | 3 | 7 | 1 | 93 | 441.511 | 5 | ↓ |
