| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2009 | 34 | 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) | 0.64 | 9.11 | -35.98 | 2 | 7 | 1 | 79 | 455.586 | 12 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 8.35 | -42.66 | 2 | 7 | 1 | 79 | 455.586 | 12 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 6.59 | -46.29 | 2 | 7 | 1 | 80 | 455.586 | 12 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 9.3 | -90.05 | 3 | 7 | 2 | 81 | 456.594 | 12 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 6.29 | -12.9 | 1 | 7 | 0 | 78 | 454.578 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | 9.19 | -162.26 | 4 | 7 | 3 | 82 | 457.602 | 12 | ↓ |
