| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 31 | 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) | 4.01 | 11.4 | -38.94 | 1 | 5 | 1 | 46 | 438.617 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 9.13 | -8 | 0 | 5 | 0 | 45 | 437.609 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.01 | 12.32 | -87.36 | 2 | 5 | 2 | 48 | 439.625 | 5 | ↓ |
