| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2007 | 29 | 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) | 3.36 | 6.53 | -19.21 | 1 | 8 | 0 | 94 | 452.685 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 5.02 | -130 | 1 | 8 | -2 | 111 | 450.669 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.36 | 4.75 | -57.39 | 2 | 8 | 1 | 96 | 453.693 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.28 | 3.51 | -16.27 | 3 | 8 | 0 | 105 | 452.685 | 4 | ↓ |
