| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 25 | 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) | 4.33 | 12.44 | -13.89 | 0 | 5 | 0 | 52 | 444.276 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 13.1 | -31.64 | 2 | 5 | 1 | 57 | 445.284 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 12.91 | -31.51 | 1 | 5 | 1 | 54 | 445.284 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 12.78 | -40.49 | 1 | 5 | 1 | 54 | 445.284 | 3 | ↓ |
