| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2008 | 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) | 2.49 | 7.43 | -63.52 | 1 | 7 | -1 | 103 | 429.452 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 7.24 | -14.14 | 1 | 7 | 0 | 97 | 430.46 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 6.84 | -13.82 | 2 | 7 | 0 | 100 | 430.46 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 7.12 | -46.17 | 3 | 7 | 1 | 101 | 431.468 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 7.52 | -51.3 | 2 | 7 | 1 | 98 | 431.468 | 6 | ↓ |
