| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 36 | 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) | 4.77 | 12.75 | -66.09 | 1 | 7 | 0 | 83 | 492.616 | 14 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 10.53 | -56.94 | 0 | 7 | -1 | 82 | 491.608 | 14 | ↓ |
| Mid Mid (pH 6-8) | 5.22 | 11.65 | -52.96 | 2 | 7 | 1 | 81 | 493.624 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.19 | 12.64 | -54.79 | 1 | 7 | 1 | 77 | 493.624 | 14 | ↓ |
