| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 38 | No |
None
None
| 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) | 5.53 | 14.85 | -59.23 | 2 | 6 | 1 | 77 | 511.642 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.53 | 13.27 | -46.52 | 0 | 6 | -1 | 79 | 509.626 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.53 | 12.7 | -21.24 | 1 | 6 | 0 | 76 | 510.634 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.53 | 15.43 | -33.62 | 1 | 6 | 0 | 80 | 510.634 | 4 | ↓ |
