| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 32 | No |
| 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) | 4.61 | 13.37 | -66.09 | 1 | 5 | 0 | 65 | 438.543 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.61 | 11.15 | -57.45 | 0 | 5 | -1 | 64 | 437.535 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.06 | 12.25 | -54.47 | 2 | 5 | 1 | 62 | 439.551 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | 13.23 | -55.7 | 1 | 5 | 1 | 59 | 439.551 | 9 | ↓ |
