| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2006 | 32 | 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) | 2.33 | 6.88 | -65.49 | 1 | 7 | -1 | 103 | 429.452 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 8.39 | -22.82 | 1 | 7 | 0 | 97 | 430.46 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 5.7 | -31.2 | 2 | 7 | 0 | 100 | 430.46 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 7.59 | -58.05 | 3 | 7 | 1 | 101 | 431.468 | 5 | ↓ |
