| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 27 | 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) | 3.65 | 6.47 | -12.31 | 2 | 6 | 0 | 78 | 363.417 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 6.92 | -53.41 | 0 | 6 | -1 | 77 | 362.409 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 6.88 | -56.17 | 0 | 6 | -1 | 77 | 362.409 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 7.24 | -39.99 | 1 | 6 | -1 | 81 | 362.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 7.05 | -51.7 | 1 | 6 | -1 | 81 | 362.409 | 5 | ↓ |
