| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 33 | No |
| 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) | 3.47 | 4.69 | -11.28 | 4 | 8 | 0 | 126 | 442.454 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 4.68 | -10.43 | 4 | 8 | 0 | 126 | 442.454 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 4.02 | -10.78 | 4 | 8 | 0 | 126 | 442.454 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.47 | 4.24 | -56.41 | 5 | 8 | 1 | 127 | 443.462 | 5 | ↓ |
