| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 31 | 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) | 1.77 | 7.84 | -57.36 | 3 | 9 | 1 | 113 | 421.481 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 6.49 | -15.41 | 2 | 9 | 0 | 108 | 420.473 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 6.6 | -14.19 | 2 | 9 | 0 | 108 | 420.473 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 5.75 | -17.65 | 2 | 9 | 0 | 111 | 420.473 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 4.75 | -45.33 | 3 | 9 | 1 | 116 | 421.481 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 5.3 | -47.87 | 3 | 9 | 1 | 116 | 421.481 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 8.11 | -99.03 | 4 | 9 | 2 | 117 | 422.489 | 7 | ↓ |
