| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 29th, 2008 | 32 | 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) | 3.67 | 14.19 | -45.12 | 1 | 7 | 1 | 54 | 436.628 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 12.17 | -10.76 | 0 | 7 | 0 | 53 | 435.62 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.67 | 16.57 | -132.2 | 2 | 7 | 2 | 55 | 437.636 | 8 | ↓ |
