| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 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) | 3.05 | 7.27 | -48.61 | 1 | 9 | -1 | 115 | 535.404 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 9.54 | -66.58 | 2 | 9 | 0 | 116 | 536.412 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 6.5 | -17.03 | 2 | 9 | 0 | 112 | 536.412 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 8.77 | -62.05 | 3 | 9 | 1 | 113 | 537.42 | 8 | ↓ |
