| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 38 | 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) | 5.67 | 12.05 | -14.54 | 2 | 7 | 0 | 91 | 522.992 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.64 | 11.86 | -55.49 | 0 | 7 | -1 | 90 | 521.984 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.64 | 11.41 | -50.52 | 0 | 7 | -1 | 90 | 521.984 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.67 | 12.84 | -49.93 | 1 | 7 | -1 | 94 | 521.984 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.67 | 11.55 | -43.93 | 3 | 7 | 1 | 93 | 524 | 6 | ↓ |
