| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 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) | 3.25 | 6.37 | -15.16 | 2 | 8 | 0 | 97 | 423.469 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 6.74 | -63.16 | 0 | 8 | -1 | 96 | 422.461 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 6.96 | -48.64 | 0 | 8 | -1 | 96 | 422.461 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 7.4 | -43.95 | 1 | 8 | -1 | 100 | 422.461 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 7.15 | -54.78 | 1 | 8 | -1 | 100 | 422.461 | 7 | ↓ |
