| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2009 | 25 | Yes |
| 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) | 4.14 | 7.18 | -9.42 | 1 | 4 | 0 | 45 | 373.547 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 9.41 | -41.3 | 2 | 4 | 1 | 46 | 374.555 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 7.57 | -32.92 | 2 | 4 | 1 | 46 | 374.555 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.14 | 9.8 | -83.31 | 3 | 4 | 2 | 48 | 375.563 | 5 | ↓ |
