| 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) | 3.60 | 11.27 | -72.34 | 1 | 8 | 0 | 93 | 494.588 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 8.95 | -59.36 | 0 | 8 | -1 | 91 | 493.58 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 10.16 | -58.16 | 2 | 8 | 1 | 90 | 495.596 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 11.13 | -64.48 | 1 | 8 | 1 | 87 | 495.596 | 11 | ↓ |
