| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 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) | 4.81 | 16.02 | -22.79 | 1 | 7 | 0 | 81 | 437.503 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.82 | 16.28 | -56.39 | 1 | 7 | -1 | 83 | 436.495 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.82 | 16.53 | -17.22 | 2 | 7 | 0 | 84 | 437.503 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.81 | 16.35 | -41.14 | 2 | 7 | 1 | 83 | 438.511 | 5 | ↓ |
