| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 33 | 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) | 4.87 | 12.19 | -69.71 | 1 | 6 | 0 | 74 | 491.415 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.87 | 9.65 | -57 | 0 | 6 | -1 | 73 | 490.407 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 1.19 | -51.08 | 1 | 6 | 1 | 68 | 492.423 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.32 | 11.79 | -45.43 | 2 | 6 | 1 | 71 | 492.423 | 8 | ↓ |
