| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 31 | 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) | 3.59 | 5.42 | -14.67 | 3 | 7 | 0 | 99 | 421.497 | 7 | ↓ |
| Ref Reference (pH 7) | 3.59 | 5.26 | -13.23 | 3 | 7 | 0 | 99 | 421.497 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 6.19 | -48 | 2 | 7 | -1 | 102 | 420.489 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 5.87 | -58.2 | 1 | 7 | -1 | 98 | 420.489 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 5.66 | -55.83 | 1 | 7 | -1 | 98 | 420.489 | 7 | ↓ |
