| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 38 | 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) | 4.11 | 10.59 | -44.35 | 1 | 7 | -1 | 103 | 505.55 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.56 | 9.79 | -34.26 | 2 | 7 | 0 | 100 | 506.558 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 10.79 | -25.62 | 1 | 7 | 0 | 97 | 506.558 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 8.07 | -49.7 | 1 | 5 | 1 | 47 | 333.452 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.11 | 10.39 | -54.05 | 3 | 7 | 1 | 101 | 507.566 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.53 | 11.07 | -62.43 | 2 | 7 | 1 | 98 | 507.566 | 8 | ↓ |
