| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 17 | 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) | 0.54 | 1.11 | -45.55 | 3 | 4 | 1 | 49 | 241.355 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 0.72 | -2.52 | 2 | 4 | 0 | 48 | 240.347 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.54 | 2.58 | -32.28 | 3 | 4 | 1 | 49 | 241.355 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.54 | 2.82 | -120.24 | 4 | 4 | 2 | 51 | 242.363 | 1 | ↓ |
