| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 35 | 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) | 4.35 | 11.37 | -21.91 | 1 | 8 | 0 | 93 | 492.601 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | 9.35 | -46.24 | 2 | 8 | 1 | 98 | 493.609 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | 8.54 | -39.94 | 2 | 8 | 1 | 98 | 493.609 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.35 | -3.08 | -38.15 | 2 | 8 | 1 | 94 | 493.609 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.87 | 9.79 | -95.96 | 3 | 8 | 2 | 99 | 494.617 | 10 | ↓ |
