| 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) | 2.64 | 5.53 | -15.07 | 2 | 8 | 0 | 97 | 423.469 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 6.1 | -48.02 | 0 | 8 | -1 | 96 | 422.461 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 5.88 | -60.63 | 0 | 8 | -1 | 96 | 422.461 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 6.55 | -47.34 | 1 | 8 | -1 | 100 | 422.461 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 6.29 | -54.93 | 1 | 8 | -1 | 100 | 422.461 | 8 | ↓ |
